(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine

C12H23N3 — CID 130436838

IUPAC(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine
SMILESC=C(/C=C\N(C)C)N1CCCN(C)CC1
InChIInChI=1S/C12H23N3/c1-12(6-9-13(2)3)15-8-5-7-14(4)10-11-15/h6,9H,1,5,7-8,10-11H2,2-4H3/b9-6-
InChIKeyZTQWYOOAKDIWMV-TWGQIWQCSA-N
MW209.34 g/mol
LogP1.21
Rot. Bonds3

About (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine

(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine (PubChem CID 130436838) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine
PubChem CID130436838
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine
SMILESC=C(/C=C\N(C)C)N1CCCN(C)CC1
InChIInChI=1S/C12H23N3/c1-12(6-9-13(2)3)15-8-5-7-14(4)10-11-15/h6,9H,1,5,7-8,10-11H2,2-4H3/b9-6-
InChIKeyZTQWYOOAKDIWMV-TWGQIWQCSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine (CID 130436838) is (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine is C=C(/C=C\N(C)C)N1CCCN(C)CC1.
What is the InChIKey of (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine?
The InChIKey is ZTQWYOOAKDIWMV-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(6-9-13(2)3)15-8-5-7-14(4)10-11-15/h6,9H,1,5,7-8,10-11H2,2-4H3/b9-6-.
What are the key properties of (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine?
(1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 130436838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).