7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine

C17H33N — CID 132175200

IUPAC7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine
SMILESC/C=C(\CC(C)C)/NCCCCCC(=C)C(C)C
InChIInChI=1S/C17H33N/c1-7-17(13-14(2)3)18-12-10-8-9-11-16(6)15(4)5/h7,14-15,18H,6,8-13H2,1-5H3/b17-7+
InChIKeyKFMODVMVECCXLG-REZTVBANSA-N
MW251.50 g/mol
LogP6.40
Rot. Bonds10

About 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine

7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine (PubChem CID 132175200) has the molecular formula C17H33N and a molecular weight of 251.50 g/mol. Its IUPAC name is 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine
PubChem CID132175200
Molecular FormulaC17H33N
Molecular Weight251.50 g/mol
Exact Mass251.26
IUPAC Name7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine
SMILESC/C=C(\CC(C)C)/NCCCCCC(=C)C(C)C
InChIInChI=1S/C17H33N/c1-7-17(13-14(2)3)18-12-10-8-9-11-16(6)15(4)5/h7,14-15,18H,6,8-13H2,1-5H3/b17-7+
InChIKeyKFMODVMVECCXLG-REZTVBANSA-N
XLogP6.40
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity248

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.50
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine?
The IUPAC name of 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine (CID 132175200) is 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine.
What is the SMILES notation for 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine?
The canonical SMILES for 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine is C/C=C(\CC(C)C)/NCCCCCC(=C)C(C)C.
What is the InChIKey of 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine?
The InChIKey is KFMODVMVECCXLG-REZTVBANSA-N. The full InChI is InChI=1S/C17H33N/c1-7-17(13-14(2)3)18-12-10-8-9-11-16(6)15(4)5/h7,14-15,18H,6,8-13H2,1-5H3/b17-7+.
What are the key properties of 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine?
7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine has a molecular weight of 251.50 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(E)-5-methylhex-2-en-3-yl]-6-methylideneoctan-1-amine is sourced from PubChem (CID 132175200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).