(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine

C15H25N3 — CID 143028400

IUPAC(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine
SMILESC=CC/C(N)=C\C=C(/C=C)N1CCCN(C)CC1
InChIInChI=1S/C15H25N3/c1-4-7-14(16)8-9-15(5-2)18-11-6-10-17(3)12-13-18/h4-5,8-9H,1-2,6-7,10-13,16H2,3H3/b14-8+,15-9+
InChIKeyLRCLXBMQTRLFDA-VOMDNODZSA-N
MW247.39 g/mol
LogP2.11
Rot. Bonds5

About (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine

(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine (PubChem CID 143028400) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine.

Molecular Properties

Compound Name(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine
PubChem CID143028400
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine
SMILESC=CC/C(N)=C\C=C(/C=C)N1CCCN(C)CC1
InChIInChI=1S/C15H25N3/c1-4-7-14(16)8-9-15(5-2)18-11-6-10-17(3)12-13-18/h4-5,8-9H,1-2,6-7,10-13,16H2,3H3/b14-8+,15-9+
InChIKeyLRCLXBMQTRLFDA-VOMDNODZSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-5-(4-methyl-1,4-diazepan-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 143483003
12-Methyl-1,4-diazabicyclo[5.5.0]dodeca-7,8,11-triene
CID 122605718
2-(1-ethyl-2H-pyridin-6-yl)ethanamine
CID 123193658
(3Z)-5-(4-methyl-1,4-diazepan-1-yl)hepta-3,5-dien-2-imine
CID 123398474
1-Hexa-2,4-dien-3-yl-1,4-diazepane
CID 123860987
6-(4-Methylpiperazin-1-yl)cyclohepta-1,4,6-trien-1-amine
CID 126604775
(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
1-Cyclohexa-1,3-dien-1-yl-4-methyl-1,4-diazepane
CID 129125449
N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine
CID 130195096
(2Z,4E)-6-(1,4-diazepan-1-yl)hexa-2,4-dien-2-amine
CID 134406702
(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine
CID 135207982
1-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-2-yl]-4-methyl-1,4-diazepane
CID 137401337

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine?
The IUPAC name of (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine (CID 143028400) is (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine.
What is the SMILES notation for (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine?
The canonical SMILES for (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine is C=CC/C(N)=C\C=C(/C=C)N1CCCN(C)CC1.
What is the InChIKey of (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine?
The InChIKey is LRCLXBMQTRLFDA-VOMDNODZSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-7-14(16)8-9-15(5-2)18-11-6-10-17(3)12-13-18/h4-5,8-9H,1-2,6-7,10-13,16H2,3H3/b14-8+,15-9+.
What are the key properties of (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine?
(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine is sourced from PubChem (CID 143028400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).