4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine

C16H31N — CID 114110275

IUPAC4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
SMILESCCCC1CC1NC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H31N/c1-4-6-14-11-16(14)17-15-8-5-7-13(9-10-15)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyMOIGJALOTXUDEE-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds5

About 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine

4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine (PubChem CID 114110275) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
PubChem CID114110275
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
SMILESCCCC1CC1NC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H31N/c1-4-6-14-11-16(14)17-15-8-5-7-13(9-10-15)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyMOIGJALOTXUDEE-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-N-(2-propylcyclopropyl)cyclobutan-1-amine
CID 103578466
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003
1-ethyl-N-(2-propylcyclopropyl)piperidin-4-amine
CID 115901395
2-ethyl-N-(2-propylcyclopropyl)cyclopentan-1-amine
CID 115892233
1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine
CID 115689653
N-(2-ethylcyclopropyl)cyclooctanamine
CID 103783809
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
CID 114543996

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine (CID 114110275) is 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine is CCCC1CC1NC1CCCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine?
The InChIKey is MOIGJALOTXUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-6-14-11-16(14)17-15-8-5-7-13(9-10-15)12(2)3/h12-17H,4-11H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine?
4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine is sourced from PubChem (CID 114110275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).