(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide

C25H43N3 — CID 134270356

IUPAC(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide
SMILESC=C(CC)N[C@@H](C/C(=N/C)NC(C)/C=C\CC/C=C\CC)/C(C)=C/C=C\CC
InChIInChI=1S/C25H43N3/c1-8-11-13-14-15-17-19-23(6)28-25(26-7)20-24(27-22(5)10-3)21(4)18-16-12-9-2/h11-13,16-19,23-24,27H,5,8-10,14-15,20H2,1-4,6-7H3,(H,26,28)/b13-11-,16-12-,19-17-,21-18+/t23?,24-/m0/s1
InChIKeyDOLQBSGWOSUMKZ-DUNYJIISSA-N
MW385.64 g/mol
LogP6.48
Rot. Bonds14

About (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide

(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide (PubChem CID 134270356) has the molecular formula C25H43N3 and a molecular weight of 385.64 g/mol. Its IUPAC name is (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide.

Molecular Properties

Compound Name(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide
PubChem CID134270356
Molecular FormulaC25H43N3
Molecular Weight385.64 g/mol
Exact Mass385.35
IUPAC Name(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide
SMILESC=C(CC)N[C@@H](C/C(=N/C)NC(C)/C=C\CC/C=C\CC)/C(C)=C/C=C\CC
InChIInChI=1S/C25H43N3/c1-8-11-13-14-15-17-19-23(6)28-25(26-7)20-24(27-22(5)10-3)21(4)18-16-12-9-2/h11-13,16-19,23-24,27H,5,8-10,14-15,20H2,1-4,6-7H3,(H,26,28)/b13-11-,16-12-,19-17-,21-18+/t23?,24-/m0/s1
InChIKeyDOLQBSGWOSUMKZ-DUNYJIISSA-N
XLogP6.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide?
The IUPAC name of (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide (CID 134270356) is (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide.
What is the SMILES notation for (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide?
The canonical SMILES for (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide is C=C(CC)N[C@@H](C/C(=N/C)NC(C)/C=C\CC/C=C\CC)/C(C)=C/C=C\CC.
What is the InChIKey of (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide?
The InChIKey is DOLQBSGWOSUMKZ-DUNYJIISSA-N. The full InChI is InChI=1S/C25H43N3/c1-8-11-13-14-15-17-19-23(6)28-25(26-7)20-24(27-22(5)10-3)21(4)18-16-12-9-2/h11-13,16-19,23-24,27H,5,8-10,14-15,20H2,1-4,6-7H3,(H,26,28)/b13-11-,16-12-,19-17-,21-18+/t23?,24-/m0/s1.
What are the key properties of (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide?
(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide has a molecular weight of 385.64 g/mol, XLogP of 6.48, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide is sourced from PubChem (CID 134270356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).