N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine

C14H27N — CID 174316487

IUPACN-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine
SMILESC=C(NC1CCC(CCC)CC1)C(C)C
InChIInChI=1S/C14H27N/c1-5-6-13-7-9-14(10-8-13)15-12(4)11(2)3/h11,13-15H,4-10H2,1-3H3
InChIKeyIEAWVXVONDSPKF-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.10
Rot. Bonds5

About N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine

N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 174316487) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine
PubChem CID174316487
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine
SMILESC=C(NC1CCC(CCC)CC1)C(C)C
InChIInChI=1S/C14H27N/c1-5-6-13-7-9-14(10-8-13)15-12(4)11(2)3/h11,13-15H,4-10H2,1-3H3
InChIKeyIEAWVXVONDSPKF-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine (CID 174316487) is N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine is C=C(NC1CCC(CCC)CC1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is IEAWVXVONDSPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-13-7-9-14(10-8-13)15-12(4)11(2)3/h11,13-15H,4-10H2,1-3H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine?
N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 174316487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).