N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine

C15H31N — CID 79445973

IUPACN,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine
SMILESCCCC1CCC(C(NC)C(C)CC)CC1
InChIInChI=1S/C15H31N/c1-5-7-13-8-10-14(11-9-13)15(16-4)12(3)6-2/h12-16H,5-11H2,1-4H3
InChIKeyFZTSNVVFDLMLMJ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds6

About N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine

N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine (PubChem CID 79445973) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine
PubChem CID79445973
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine
SMILESCCCC1CCC(C(NC)C(C)CC)CC1
InChIInChI=1S/C15H31N/c1-5-7-13-8-10-14(11-9-13)15(16-4)12(3)6-2/h12-16H,5-11H2,1-4H3
InChIKeyFZTSNVVFDLMLMJ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine (CID 79445973) is N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine is CCCC1CCC(C(NC)C(C)CC)CC1.
What is the InChIKey of N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine?
The InChIKey is FZTSNVVFDLMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-7-13-8-10-14(11-9-13)15(16-4)12(3)6-2/h12-16H,5-11H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine?
N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine is sourced from PubChem (CID 79445973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).