(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine

C18H32N2 — CID 170131384

IUPAC(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine
SMILES[H]/N=C(C)/C=C\C(C)C/C=C(/C)NCCC(CC)C(=C)C
InChIInChI=1S/C18H32N2/c1-7-18(14(2)3)12-13-20-17(6)11-9-15(4)8-10-16(5)19/h8,10-11,15,18-20H,2,7,9,12-13H2,1,3-6H3/b10-8-,17-11-,19-16+
InChIKeySNXVSOVNEINFOJ-XPYFQIHPSA-N
MW276.47 g/mol
LogP5.09
Rot. Bonds10

About (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine

(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine (PubChem CID 170131384) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine.

Molecular Properties

Compound Name(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine
PubChem CID170131384
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine
SMILES[H]/N=C(C)/C=C\C(C)C/C=C(/C)NCCC(CC)C(=C)C
InChIInChI=1S/C18H32N2/c1-7-18(14(2)3)12-13-20-17(6)11-9-15(4)8-10-16(5)19/h8,10-11,15,18-20H,2,7,9,12-13H2,1,3-6H3/b10-8-,17-11-,19-16+
InChIKeySNXVSOVNEINFOJ-XPYFQIHPSA-N
XLogP5.09
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine?
The IUPAC name of (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine (CID 170131384) is (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine.
What is the SMILES notation for (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine?
The canonical SMILES for (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine is [H]/N=C(C)/C=C\C(C)C/C=C(/C)NCCC(CC)C(=C)C.
What is the InChIKey of (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine?
The InChIKey is SNXVSOVNEINFOJ-XPYFQIHPSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-18(14(2)3)12-13-20-17(6)11-9-15(4)8-10-16(5)19/h8,10-11,15,18-20H,2,7,9,12-13H2,1,3-6H3/b10-8-,17-11-,19-16+.
What are the key properties of (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine?
(2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine has a molecular weight of 276.47 g/mol, XLogP of 5.09, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-N-[(3S)-3-ethyl-4-methylpent-4-enyl]-8-imino-5-methylnona-2,6-dien-2-amine is sourced from PubChem (CID 170131384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).