(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine

C23H41N3 — CID 123845893

IUPAC(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine
SMILES[H]/N=C/C(C)CC(C)/C(C)=C1/C(N/C(=C\CCC(C)C)CCC)=NCC1C
InChIInChI=1S/C23H41N3/c1-8-10-21(12-9-11-16(2)3)26-23-22(19(6)15-25-23)20(7)18(5)13-17(4)14-24/h12,14,16-19,24H,8-11,13,15H2,1-7H3,(H,25,26)/b21-12-,22-20+,24-14+
InChIKeyGQFSCMQDKWECOW-CQGKYAPHSA-N
MW359.60 g/mol
LogP6.37
Rot. Bonds10

About (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine

(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine (PubChem CID 123845893) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine.

Molecular Properties

Compound Name(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine
PubChem CID123845893
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC Name(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine
SMILES[H]/N=C/C(C)CC(C)/C(C)=C1/C(N/C(=C\CCC(C)C)CCC)=NCC1C
InChIInChI=1S/C23H41N3/c1-8-10-21(12-9-11-16(2)3)26-23-22(19(6)15-25-23)20(7)18(5)13-17(4)14-24/h12,14,16-19,24H,8-11,13,15H2,1-7H3,(H,25,26)/b21-12-,22-20+,24-14+
InChIKeyGQFSCMQDKWECOW-CQGKYAPHSA-N
XLogP6.37
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine with MolForge

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Related Compounds

5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
CID 90950644
4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine
CID 91375149
N',2-dimethyl-N-[(Z)-5-(3-methylcyclobutyl)pent-2-en-3-yl]prop-2-enimidamide;ethane
CID 153562306
N'-ethyl-3,3-dimethyl-N-[1-(2-methyl-4-propylcyclohexa-2,4-dien-1-yl)ethenyl]cyclopenta-1,4-diene-1-carboximidamide
CID 167149073
(3E)-5-methyl-N-[(E)-2-methylbut-1-enyl]-3-(3-methylpentan-2-ylidene)-1H-pyrrol-2-imine
CID 173871173
3-methyl-N-(5-methylhex-1-en-2-yl)-2H-pyrrol-5-amine
CID 143316770

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine?
The IUPAC name of (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine (CID 123845893) is (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine.
What is the SMILES notation for (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine?
The canonical SMILES for (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine is [H]/N=C/C(C)CC(C)/C(C)=C1/C(N/C(=C\CCC(C)C)CCC)=NCC1C.
What is the InChIKey of (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine?
The InChIKey is GQFSCMQDKWECOW-CQGKYAPHSA-N. The full InChI is InChI=1S/C23H41N3/c1-8-10-21(12-9-11-16(2)3)26-23-22(19(6)15-25-23)20(7)18(5)13-17(4)14-24/h12,14,16-19,24H,8-11,13,15H2,1-7H3,(H,25,26)/b21-12-,22-20+,24-14+.
What are the key properties of (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine?
(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine has a molecular weight of 359.60 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine is sourced from PubChem (CID 123845893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).