2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine

C16H31N — CID 114110263

IUPAC2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
SMILESCCCC1CC1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H31N/c1-5-8-12-11-15(12)17-14-10-7-6-9-13(14)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyRQHDXKXTDGAQTQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds4

About 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine

2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine (PubChem CID 114110263) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
PubChem CID114110263
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
SMILESCCCC1CC1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H31N/c1-5-8-12-11-15(12)17-14-10-7-6-9-13(14)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyRQHDXKXTDGAQTQ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine (CID 114110263) is 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine is CCCC1CC1NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
The InChIKey is RQHDXKXTDGAQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-8-12-11-15(12)17-14-10-7-6-9-13(14)16(2,3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine is sourced from PubChem (CID 114110263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).