1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide

C14H28N2O — CID 80587125

IUPAC1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
SMILESCCCCCCC(C)NC(=O)C1(CN)CCC1
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-8-12(2)16-13(17)14(11-15)9-7-10-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyUAKRRSMTLBBAEC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.59
Rot. Bonds8

About 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide

1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide (PubChem CID 80587125) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
PubChem CID80587125
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
SMILESCCCCCCC(C)NC(=O)C1(CN)CCC1
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-8-12(2)16-13(17)14(11-15)9-7-10-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyUAKRRSMTLBBAEC-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
CID 81179948
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 97027522
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
1-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide (CID 80587125) is 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide is CCCCCCC(C)NC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide?
The InChIKey is UAKRRSMTLBBAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-5-6-8-12(2)16-13(17)14(11-15)9-7-10-14/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 80587125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).