1,4-di(propan-2-yl)cycloheptan-1-amine

C13H27N — CID 65086898

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

About 1,4-di(propan-2-yl)cycloheptan-1-amine

1,4-di(propan-2-yl)cycloheptan-1-amine (PubChem CID 65086898) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)cycloheptan-1-amine
PubChem CID65086898
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,4-di(propan-2-yl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(C(C)C)CC1
InChIInChI=1S/C13H27N/c1-10(2)12-6-5-8-13(14,9-7-12)11(3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyQNFIPRCZQKDGFT-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

1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
CID 65240022
1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine
CID 96930735
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
CID 83158864
3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
CID 64595245
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
CID 141199870
1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)cycloheptan-1-amine?
The IUPAC name of 1,4-di(propan-2-yl)cycloheptan-1-amine (CID 65086898) is 1,4-di(propan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1,4-di(propan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1,4-di(propan-2-yl)cycloheptan-1-amine is CC(C)C1CCCC(N)(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)cycloheptan-1-amine?
The InChIKey is QNFIPRCZQKDGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)12-6-5-8-13(14,9-7-12)11(3)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)cycloheptan-1-amine?
1,4-di(propan-2-yl)cycloheptan-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-di(propan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65086898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).