2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine

C27H42F3N5 — CID 142127844

IUPAC2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(N)CCN.Cc1ccccc1C/C=C(\N)C1CCCCC1.NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23N.C8H8F3N.C3H11N3/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15;9-8(10,11)7-4-2-1-3-6(7)5-12;1-6(5)3-2-4/h5-8,12,15H,2-4,9-11,17H2,1H3;1-4H,5,12H2;2-5H2,1H3/b16-12-;;
InChIKeyDOGDSZMTXXCNHX-DAANKRAASA-N
MW493.66 g/mol
LogP4.88
Rot. Bonds6

About 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine

2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 142127844) has the molecular formula C27H42F3N5 and a molecular weight of 493.66 g/mol. Its IUPAC name is 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine
PubChem CID142127844
Molecular FormulaC27H42F3N5
Molecular Weight493.66 g/mol
Exact Mass493.34
IUPAC Name2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(N)CCN.Cc1ccccc1C/C=C(\N)C1CCCCC1.NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23N.C8H8F3N.C3H11N3/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15;9-8(10,11)7-4-2-1-3-6(7)5-12;1-6(5)3-2-4/h5-8,12,15H,2-4,9-11,17H2,1H3;1-4H,5,12H2;2-5H2,1H3/b16-12-;;
InChIKeyDOGDSZMTXXCNHX-DAANKRAASA-N
XLogP4.88
TPSA107.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(1-cyclohexyl-1-fluoroethyl)phenyl]methanamine
CID 115041097
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
CID 142126168
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
CID 70118459
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
ethyl (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-2-carboxylate
CID 6939950
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
ethanethial;(2-methylphenyl)methanamine
CID 143288844

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine (CID 142127844) is 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine is CN(N)CCN.Cc1ccccc1C/C=C(\N)C1CCCCC1.NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DOGDSZMTXXCNHX-DAANKRAASA-N. The full InChI is InChI=1S/C16H23N.C8H8F3N.C3H11N3/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15;9-8(10,11)7-4-2-1-3-6(7)5-12;1-6(5)3-2-4/h5-8,12,15H,2-4,9-11,17H2,1H3;1-4H,5,12H2;2-5H2,1H3/b16-12-;;.
What are the key properties of 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine?
2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 493.66 g/mol, XLogP of 4.88, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 142127844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).