N-propan-2-yl-4-propylcyclohexan-1-amine

C12H25N — CID 43180511

IUPACN-propan-2-yl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)C)CC1
InChIInChI=1S/C12H25N/c1-4-5-11-6-8-12(9-7-11)13-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyPHGGDIFLJVWSNR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds4

About N-propan-2-yl-4-propylcyclohexan-1-amine

N-propan-2-yl-4-propylcyclohexan-1-amine (PubChem CID 43180511) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-propan-2-yl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-propylcyclohexan-1-amine
PubChem CID43180511
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-propan-2-yl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)C)CC1
InChIInChI=1S/C12H25N/c1-4-5-11-6-8-12(9-7-11)13-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyPHGGDIFLJVWSNR-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-propylcyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-4-propylcyclohexan-1-amine (CID 43180511) is N-propan-2-yl-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-propylcyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-4-propylcyclohexan-1-amine?
The InChIKey is PHGGDIFLJVWSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-11-6-8-12(9-7-11)13-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-propan-2-yl-4-propylcyclohexan-1-amine?
N-propan-2-yl-4-propylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43180511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).