1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine

C16H32N2 — CID 166931385

IUPAC1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
SMILESC=CNCCCCC(NC(C)C)C(=C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-8-17-12-10-9-11-15(18-13(2)3)14(4)16(5,6)7/h8,13,15,17-18H,1,4,9-12H2,2-3,5-7H3
InChIKeyGHGZACGPQWTVSO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.86
Rot. Bonds9

About 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine

1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine (PubChem CID 166931385) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine.

Molecular Properties

Compound Name1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
PubChem CID166931385
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
SMILESC=CNCCCCC(NC(C)C)C(=C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-8-17-12-10-9-11-15(18-13(2)3)14(4)16(5,6)7/h8,13,15,17-18H,1,4,9-12H2,2-3,5-7H3
InChIKeyGHGZACGPQWTVSO-UHFFFAOYSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine?
The IUPAC name of 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine (CID 166931385) is 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine.
What is the SMILES notation for 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine?
The canonical SMILES for 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine is C=CNCCCCC(NC(C)C)C(=C)C(C)(C)C.
What is the InChIKey of 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine?
The InChIKey is GHGZACGPQWTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-8-17-12-10-9-11-15(18-13(2)3)14(4)16(5,6)7/h8,13,15,17-18H,1,4,9-12H2,2-3,5-7H3.
What are the key properties of 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine?
1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine is sourced from PubChem (CID 166931385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).