3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine

C12H23N — CID 137410346

IUPAC3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine
SMILESCC/C=C(/C)NC1CCCC(C)C1
InChIInChI=1S/C12H23N/c1-4-6-11(3)13-12-8-5-7-10(2)9-12/h6,10,12-13H,4-5,7-9H2,1-3H3/b11-6-
InChIKeyXOSKWJMWZDVLNV-WDZFZDKYSA-N
MW181.32 g/mol
LogP3.47
Rot. Bonds3

About 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine

3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine (PubChem CID 137410346) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine
PubChem CID137410346
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine
SMILESCC/C=C(/C)NC1CCCC(C)C1
InChIInChI=1S/C12H23N/c1-4-6-11(3)13-12-8-5-7-10(2)9-12/h6,10,12-13H,4-5,7-9H2,1-3H3/b11-6-
InChIKeyXOSKWJMWZDVLNV-WDZFZDKYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine (CID 137410346) is 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine is CC/C=C(/C)NC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine?
The InChIKey is XOSKWJMWZDVLNV-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-6-11(3)13-12-8-5-7-10(2)9-12/h6,10,12-13H,4-5,7-9H2,1-3H3/b11-6-.
What are the key properties of 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine?
3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 137410346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).