1-amino-N-heptan-2-ylcyclobutane-1-carboxamide

C12H24N2O — CID 81179948

IUPAC1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
SMILESCCCCCC(C)NC(=O)C1(N)CCC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-10(2)14-11(15)12(13)8-6-9-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyFFJLYBYWMQWBER-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.95
Rot. Bonds6

About 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide

1-amino-N-heptan-2-ylcyclobutane-1-carboxamide (PubChem CID 81179948) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
PubChem CID81179948
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
SMILESCCCCCC(C)NC(=O)C1(N)CCC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-10(2)14-11(15)12(13)8-6-9-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyFFJLYBYWMQWBER-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.95
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

1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 97027522
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
1-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide (CID 81179948) is 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide is CCCCCC(C)NC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide?
The InChIKey is FFJLYBYWMQWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-7-10(2)14-11(15)12(13)8-6-9-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide?
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-heptan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 81179948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).