1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide

C16H30N2O — CID 80598794

IUPAC1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CCC(CCNC(=O)C2(CN)CC(C)C2)CC1
InChIInChI=1S/C16H30N2O/c1-12-3-5-14(6-4-12)7-8-18-15(19)16(11-17)9-13(2)10-16/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyNFVUHRBONPRZCY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.69
Rot. Bonds5

About 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 80598794) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
PubChem CID80598794
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CCC(CCNC(=O)C2(CN)CC(C)C2)CC1
InChIInChI=1S/C16H30N2O/c1-12-3-5-14(6-4-12)7-8-18-15(19)16(11-17)9-13(2)10-16/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyNFVUHRBONPRZCY-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114135899
1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 114133236
1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
N-(2-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594384
1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
CID 80598078
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80588679
1-(aminomethyl)-3-methyl-N-(2,2,3-trimethylbutyl)cyclobutane-1-carboxamide
CID 114099712
3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 64891038
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587190

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide (CID 80598794) is 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide is CC1CCC(CCNC(=O)C2(CN)CC(C)C2)CC1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is NFVUHRBONPRZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-3-5-14(6-4-12)7-8-18-15(19)16(11-17)9-13(2)10-16/h12-14H,3-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80598794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).