3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine

C15H30N2 — CID 129045665

IUPAC3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine
SMILESC=C(C)/C=C(/C)NC(CCC)CCNC(C)C
InChIInChI=1S/C15H30N2/c1-7-8-15(9-10-16-13(4)5)17-14(6)11-12(2)3/h11,13,15-17H,2,7-10H2,1,3-6H3/b14-11-
InChIKeyOCYCKAHGXBXEGR-KAMYIIQDSA-N
MW238.42 g/mol
LogP3.61
Rot. Bonds9

About 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine

3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine (PubChem CID 129045665) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine
PubChem CID129045665
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine
SMILESC=C(C)/C=C(/C)NC(CCC)CCNC(C)C
InChIInChI=1S/C15H30N2/c1-7-8-15(9-10-16-13(4)5)17-14(6)11-12(2)3/h11,13,15-17H,2,7-10H2,1,3-6H3/b14-11-
InChIKeyOCYCKAHGXBXEGR-KAMYIIQDSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine?
The IUPAC name of 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine (CID 129045665) is 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine.
What is the SMILES notation for 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine?
The canonical SMILES for 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine is C=C(C)/C=C(/C)NC(CCC)CCNC(C)C.
What is the InChIKey of 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine?
The InChIKey is OCYCKAHGXBXEGR-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-8-15(9-10-16-13(4)5)17-14(6)11-12(2)3/h11,13,15-17H,2,7-10H2,1,3-6H3/b14-11-.
What are the key properties of 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine?
3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-N-propan-2-ylhexane-1,3-diamine is sourced from PubChem (CID 129045665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).