N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine

C15H24N2 — CID 123833320

IUPACN,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine
SMILESC=C(C=CN(C)C)C1=C(C)C(C)C(C)CC=N1
InChIInChI=1S/C15H24N2/c1-11-7-9-16-15(14(4)13(11)3)12(2)8-10-17(5)6/h8-11,13H,2,7H2,1,3-6H3
InChIKeyRNDRGBMGNHHTSJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.64
Rot. Bonds3

About N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine

N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine (PubChem CID 123833320) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine
PubChem CID123833320
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine
SMILESC=C(C=CN(C)C)C1=C(C)C(C)C(C)CC=N1
InChIInChI=1S/C15H24N2/c1-11-7-9-16-15(14(4)13(11)3)12(2)8-10-17(5)6/h8-11,13H,2,7H2,1,3-6H3
InChIKeyRNDRGBMGNHHTSJ-UHFFFAOYSA-N
XLogP3.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-fluoropropyl)cyclohexa-1,5-dien-1-yl]-6-methylidene-4-[(Z)-prop-1-enyl]-5H-1,4-diazepine
CID 153613140
N-(3,5,6-trimethylocta-1,3-dien-2-yl)propan-1-imine
CID 91553754
6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
CID 118616845
N'-(6,8,9-trimethyldeca-2,4-dien-4-yl)ethane-1,2-diimine
CID 123315279
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
4-methyl-5-(4-methyloct-5-en-2-yl)-3H-azepine
CID 124010499
N-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)butan-1-imine
CID 124013525
3-ethyl-7-(1-methyl-3-pyridinyl)-3H-azepine
CID 124032743
N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine
CID 126746594
N-[(4S)-5,7-dimethyl-4-propan-2-ylcyclohepta-1,6-dien-1-yl]-2-methylpropan-1-imine
CID 129230189
7a,11a-dihydro-5H-azepino[4,5-c]isoquinoline
CID 131966646
5-(2,2,5,5-tetramethylhexan-3-yl)-3H-azepine
CID 134217214

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine?
The IUPAC name of N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine (CID 123833320) is N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine is C=C(C=CN(C)C)C1=C(C)C(C)C(C)CC=N1.
What is the InChIKey of N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine?
The InChIKey is RNDRGBMGNHHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-7-9-16-15(14(4)13(11)3)12(2)8-10-17(5)6/h8-11,13H,2,7H2,1,3-6H3.
What are the key properties of N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine?
N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 123833320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).