N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide

C18H30N2O — CID 62807277

IUPACN-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O/c19-11-12-1-3-16(4-2-12)17(21)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16H,1-11,19H2,(H,20,21)
InChIKeyBMPRQNZXWUVHCD-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds3

About N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide

N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide (PubChem CID 62807277) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide
PubChem CID62807277
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O/c19-11-12-1-3-16(4-2-12)17(21)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16H,1-11,19H2,(H,20,21)
InChIKeyBMPRQNZXWUVHCD-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119669367
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
CID 104963781
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
CID 99970201
N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
CID 70936326
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
N-(1-adamantyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 41466824
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide (CID 62807277) is N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide?
The InChIKey is BMPRQNZXWUVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-11-12-1-3-16(4-2-12)17(21)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16H,1-11,19H2,(H,20,21).
What are the key properties of N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide?
N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62807277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).