N-butyl-4,4-dimethylcycloheptan-1-amine

C13H27N — CID 65082955

IUPACN-butyl-4,4-dimethylcycloheptan-1-amine
SMILESCCCCNC1CCCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-4-5-11-14-12-7-6-9-13(2,3)10-8-12/h12,14H,4-11H2,1-3H3
InChIKeyMLGFIGIUTGEJME-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.73
Rot. Bonds4

About N-butyl-4,4-dimethylcycloheptan-1-amine

N-butyl-4,4-dimethylcycloheptan-1-amine (PubChem CID 65082955) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-butyl-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-butyl-4,4-dimethylcycloheptan-1-amine
PubChem CID65082955
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-butyl-4,4-dimethylcycloheptan-1-amine
SMILESCCCCNC1CCCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-4-5-11-14-12-7-6-9-13(2,3)10-8-12/h12,14H,4-11H2,1-3H3
InChIKeyMLGFIGIUTGEJME-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
N-dodecylcyclohexanamine
CID 3679395
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
CID 65083464
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
N-decyl-4,4-difluorocyclohexan-1-amine
CID 158702871

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-butyl-4,4-dimethylcycloheptan-1-amine (CID 65082955) is N-butyl-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-butyl-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-butyl-4,4-dimethylcycloheptan-1-amine is CCCCNC1CCCC(C)(C)CC1.
What is the InChIKey of N-butyl-4,4-dimethylcycloheptan-1-amine?
The InChIKey is MLGFIGIUTGEJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-11-14-12-7-6-9-13(2,3)10-8-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-butyl-4,4-dimethylcycloheptan-1-amine?
N-butyl-4,4-dimethylcycloheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65082955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).