(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine

C15H24N4 — CID 139568975

IUPAC(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine
SMILES[H]/N=C/c1cc(C[C@@H](CN)N(C)CC2CC2)ccc1N
InChIInChI=1S/C15H24N4/c1-19(10-11-2-3-11)14(9-17)7-12-4-5-15(18)13(6-12)8-16/h4-6,8,11,14,16H,2-3,7,9-10,17-18H2,1H3/b16-8+/t14-/m0/s1
InChIKeyFPELRULSHSKEOA-BRSWLGOBSA-N
MW260.38 g/mol
LogP1.48
Rot. Bonds7

About (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine

(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 139568975) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID139568975
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine
SMILES[H]/N=C/c1cc(C[C@@H](CN)N(C)CC2CC2)ccc1N
InChIInChI=1S/C15H24N4/c1-19(10-11-2-3-11)14(9-17)7-12-4-5-15(18)13(6-12)8-16/h4-6,8,11,14,16H,2-3,7,9-10,17-18H2,1H3/b16-8+/t14-/m0/s1
InChIKeyFPELRULSHSKEOA-BRSWLGOBSA-N
XLogP1.48
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 60984620
3-methanimidoyl-4-methylaniline
CID 142987257
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
CID 66427542
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine (CID 139568975) is (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine is [H]/N=C/c1cc(C[C@@H](CN)N(C)CC2CC2)ccc1N.
What is the InChIKey of (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is FPELRULSHSKEOA-BRSWLGOBSA-N. The full InChI is InChI=1S/C15H24N4/c1-19(10-11-2-3-11)14(9-17)7-12-4-5-15(18)13(6-12)8-16/h4-6,8,11,14,16H,2-3,7,9-10,17-18H2,1H3/b16-8+/t14-/m0/s1.
What are the key properties of (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine?
(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 139568975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).