N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide

C18H30N2O — CID 63047139

IUPACN-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H30N2O/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h12-16H,1-11,19H2,(H,20,21)
InChIKeyGFVFYLUAGFFVMJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds3

About N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide

N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide (PubChem CID 63047139) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
PubChem CID63047139
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H30N2O/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h12-16H,1-11,19H2,(H,20,21)
InChIKeyGFVFYLUAGFFVMJ-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

3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 80584681
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 154909398
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119812295
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 63045578
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide (CID 63047139) is N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide?
The InChIKey is GFVFYLUAGFFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h12-16H,1-11,19H2,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide?
N-(1-adamantylmethyl)-3-aminocyclohexane-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-adamantylmethyl)-3-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 63047139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).