1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide

C14H24N2O — CID 106222021

IUPAC1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
SMILESC#CCCCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H24N2O/c1-3-4-5-10-16-13(17)14(11-15)8-6-12(2)7-9-14/h1,12H,4-11,15H2,2H3,(H,16,17)
InChIKeyDRLMHJIDXQWGBP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds5

About 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide (PubChem CID 106222021) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
PubChem CID106222021
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
SMILESC#CCCCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H24N2O/c1-3-4-5-10-16-13(17)14(11-15)8-6-12(2)7-9-14/h1,12H,4-11,15H2,2H3,(H,16,17)
InChIKeyDRLMHJIDXQWGBP-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
CID 106427662
7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839
6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 115441822
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
CID 113310530
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
CID 115442026
1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442458
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899
1-(1-hydroxy-4-methylcyclohexyl)hex-5-yn-1-one
CID 103450893
1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride
CID 130677550

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide (CID 106222021) is 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide is C#CCCCNC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide?
The InChIKey is DRLMHJIDXQWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-5-10-16-13(17)14(11-15)8-6-12(2)7-9-14/h1,12H,4-11,15H2,2H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide is sourced from PubChem (CID 106222021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).