(3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine

C15H29N3 — CID 153397406

IUPAC(3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine
SMILESCC/C=C(\C=C(/CC)NC)N1CCCN(C)CC1
InChIInChI=1S/C15H29N3/c1-5-8-15(13-14(6-2)16-3)18-10-7-9-17(4)11-12-18/h8,13,16H,5-7,9-12H2,1-4H3/b14-13+,15-8+
InChIKeySKCZUPJJUUQDAN-RIJNBSGKSA-N
MW251.42 g/mol
LogP2.43
Rot. Bonds5

About (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine

(3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine (PubChem CID 153397406) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine
PubChem CID153397406
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine
SMILESCC/C=C(\C=C(/CC)NC)N1CCCN(C)CC1
InChIInChI=1S/C15H29N3/c1-5-8-15(13-14(6-2)16-3)18-10-7-9-17(4)11-12-18/h8,13,16H,5-7,9-12H2,1-4H3/b14-13+,15-8+
InChIKeySKCZUPJJUUQDAN-RIJNBSGKSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diazabicyclo[5.4.0]undec-7-ene
CID 15119556
1,2,3,4,5,7,8,9-Octahydropyrido[1,2-a][1,4]diazepine
CID 21868013
2-fluoro-1-N-methyl-1-N-[2-(methylamino)ethyl]cyclohepta-2,4,7-triene-1,4-diamine
CID 143599143
4-Fluoro-5-(4-methyl-1,4-diazepan-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 143483003
5,6-Di(propan-2-ylidene)-1,4-diazepane
CID 90244237
12-Methyl-1,4-diazabicyclo[5.5.0]dodeca-7,8,11-triene
CID 122605718
1-Hexa-2,4-dien-3-yl-1,4-diazepane
CID 123860987
8,12-Dimethyl-1,4-diazabicyclo[5.5.0]dodeca-7,11-diene
CID 124006265
(3E)-3-N-but-3-enyl-2-N-methyl-3-N-prop-1-en-2-ylhexa-3,5-diene-2,3,5-triamine
CID 126720216
2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine
CID 129059922
(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine
CID 129181692
N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine
CID 130195096

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine (CID 153397406) is (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine is CC/C=C(\C=C(/CC)NC)N1CCCN(C)CC1.
What is the InChIKey of (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine?
The InChIKey is SKCZUPJJUUQDAN-RIJNBSGKSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-8-15(13-14(6-2)16-3)18-10-7-9-17(4)11-12-18/h8,13,16H,5-7,9-12H2,1-4H3/b14-13+,15-8+.
What are the key properties of (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine?
(3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine has a molecular weight of 251.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)octa-3,5-dien-3-amine is sourced from PubChem (CID 153397406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).