(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine

C14H27N — CID 138528385

IUPAC(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine
SMILESC/C=C(/C)NC(CC)C1CCCC(C)C1
InChIInChI=1S/C14H27N/c1-5-12(4)15-14(6-2)13-9-7-8-11(3)10-13/h5,11,13-15H,6-10H2,1-4H3/b12-5-
InChIKeyQVZUDSQTNAFWKV-XGICHPGQSA-N
MW209.38 g/mol
LogP4.10
Rot. Bonds4

About (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine

(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine (PubChem CID 138528385) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine
PubChem CID138528385
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine
SMILESC/C=C(/C)NC(CC)C1CCCC(C)C1
InChIInChI=1S/C14H27N/c1-5-12(4)15-14(6-2)13-9-7-8-11(3)10-13/h5,11,13-15H,6-10H2,1-4H3/b12-5-
InChIKeyQVZUDSQTNAFWKV-XGICHPGQSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine?
The IUPAC name of (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine (CID 138528385) is (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine.
What is the SMILES notation for (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine?
The canonical SMILES for (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine is C/C=C(/C)NC(CC)C1CCCC(C)C1.
What is the InChIKey of (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine?
The InChIKey is QVZUDSQTNAFWKV-XGICHPGQSA-N. The full InChI is InChI=1S/C14H27N/c1-5-12(4)15-14(6-2)13-9-7-8-11(3)10-13/h5,11,13-15H,6-10H2,1-4H3/b12-5-.
What are the key properties of (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine?
(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine has a molecular weight of 209.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine is sourced from PubChem (CID 138528385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).