4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine

C14H27N — CID 146604764

IUPAC4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESC=CCCC1CCC(NC(C)C)CC1C
InChIInChI=1S/C14H27N/c1-5-6-7-13-8-9-14(10-12(13)4)15-11(2)3/h5,11-15H,1,6-10H2,2-4H3
InChIKeyOWZKMIIGWNHHPK-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds5

About 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine

4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 146604764) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID146604764
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESC=CCCC1CCC(NC(C)C)CC1C
InChIInChI=1S/C14H27N/c1-5-6-7-13-8-9-14(10-12(13)4)15-11(2)3/h5,11-15H,1,6-10H2,2-4H3
InChIKeyOWZKMIIGWNHHPK-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine (CID 146604764) is 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine is C=CCCC1CCC(NC(C)C)CC1C.
What is the InChIKey of 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is OWZKMIIGWNHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-7-13-8-9-14(10-12(13)4)15-11(2)3/h5,11-15H,1,6-10H2,2-4H3.
What are the key properties of 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine?
4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-3-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 146604764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).