1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine

C18H25N — CID 55069022

IUPAC1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
SMILESCCC(NCC#Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H25N/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,17-19H,2,4,7-8,13-15H2,1H3
InChIKeyWIRQOWQPBSYLSK-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.99
Rot. Bonds4

About 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine

1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine (PubChem CID 55069022) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
PubChem CID55069022
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
SMILESCCC(NCC#Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H25N/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,17-19H,2,4,7-8,13-15H2,1H3
InChIKeyWIRQOWQPBSYLSK-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
CID 63477318
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclohexyl-4-phenylbut-3-yne-1,2-diol
CID 134942948
1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55060425
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
4-methyl-N-(3-phenylprop-2-ynyl)cyclohexan-1-amine
CID 62340350
1-cyclohexyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 55234964
9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472387
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
CID 66419635
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine (CID 55069022) is 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine is CCC(NCC#Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
The InChIKey is WIRQOWQPBSYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,17-19H,2,4,7-8,13-15H2,1H3.
What are the key properties of 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine?
1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine is sourced from PubChem (CID 55069022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).