1-(butan-2-ylamino)cycloheptane-1-carboxamide

C12H24N2O — CID 61023374

IUPAC1-(butan-2-ylamino)cycloheptane-1-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCCCCC1
InChIInChI=1S/C12H24N2O/c1-3-10(2)14-12(11(13)15)8-6-4-5-7-9-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyRPRNHGXCGTUXNI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.95
Rot. Bonds4

About 1-(butan-2-ylamino)cycloheptane-1-carboxamide

1-(butan-2-ylamino)cycloheptane-1-carboxamide (PubChem CID 61023374) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(butan-2-ylamino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(butan-2-ylamino)cycloheptane-1-carboxamide
PubChem CID61023374
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(butan-2-ylamino)cycloheptane-1-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCCCCC1
InChIInChI=1S/C12H24N2O/c1-3-10(2)14-12(11(13)15)8-6-4-5-7-9-12/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyRPRNHGXCGTUXNI-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65076096
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 54908495
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
ethyl 4-(butan-2-ylamino)oxepane-4-carboxylate
CID 65079406
4,4-difluoro-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 164659290
1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
CID 47345116
1-(4-methylpentanoylamino)cyclopentane-1-carboxamide
CID 70921490
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)cycloheptane-1-carboxamide?
The IUPAC name of 1-(butan-2-ylamino)cycloheptane-1-carboxamide (CID 61023374) is 1-(butan-2-ylamino)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(butan-2-ylamino)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(butan-2-ylamino)cycloheptane-1-carboxamide is CCC(C)NC1(C(N)=O)CCCCCC1.
What is the InChIKey of 1-(butan-2-ylamino)cycloheptane-1-carboxamide?
The InChIKey is RPRNHGXCGTUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10(2)14-12(11(13)15)8-6-4-5-7-9-12/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-(butan-2-ylamino)cycloheptane-1-carboxamide?
1-(butan-2-ylamino)cycloheptane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)cycloheptane-1-carboxamide is sourced from PubChem (CID 61023374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).