1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine

C13H27N — CID 79299029

IUPAC1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)C1CCCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-10(2)12(14)11-6-5-8-13(3,4)9-7-11/h10-12H,5-9,14H2,1-4H3
InChIKeyBEXIRWLVMFAHIB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds2

About 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine

1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine (PubChem CID 79299029) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
PubChem CID79299029
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)C1CCCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-10(2)12(14)11-6-5-8-13(3,4)9-7-11/h10-12H,5-9,14H2,1-4H3
InChIKeyBEXIRWLVMFAHIB-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65082973
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1-cyclobutylpropane-1,2-diamine
CID 116932568
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid
CID 81358386
1-cyclohexylpropane-1,2-diamine
CID 20574714
ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
CID 142620521

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine (CID 79299029) is 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine is CC(C)C(N)C1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine?
The InChIKey is BEXIRWLVMFAHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)12(14)11-6-5-8-13(3,4)9-7-11/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine?
1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79299029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).