1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide

C15H28N2O3 — CID 115442458

IUPAC1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC2(O)CCOCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-12-2-4-14(10-16,5-3-12)13(18)17-11-15(19)6-8-20-9-7-15/h12,19H,2-11,16H2,1H3,(H,17,18)
InChIKeyYXQGCPPYUGQTGW-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.80
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 115442458) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
PubChem CID115442458
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC2(O)CCOCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-12-2-4-14(10-16,5-3-12)13(18)17-11-15(19)6-8-20-9-7-15/h12,19H,2-11,16H2,1H3,(H,17,18)
InChIKeyYXQGCPPYUGQTGW-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 81130808
1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106222021
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
CID 113310530
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-methyloxane-4-carboxamide
CID 56787801
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441801
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
CID 120937401
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide (CID 115442458) is 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NCC2(O)CCOCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is YXQGCPPYUGQTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-2-4-14(10-16,5-3-12)13(18)17-11-15(19)6-8-20-9-7-15/h12,19H,2-11,16H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115442458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).