N,N-diethyl-6-methylhepta-1,5-dien-3-amine

C12H23N — CID 142113031

IUPACN,N-diethyl-6-methylhepta-1,5-dien-3-amine
SMILESC=CC(CC=C(C)C)N(CC)CC
InChIInChI=1S/C12H23N/c1-6-12(10-9-11(4)5)13(7-2)8-3/h6,9,12H,1,7-8,10H2,2-5H3
InChIKeyVTIJKZFTRJWQSC-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds6

About N,N-diethyl-6-methylhepta-1,5-dien-3-amine

N,N-diethyl-6-methylhepta-1,5-dien-3-amine (PubChem CID 142113031) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N-diethyl-6-methylhepta-1,5-dien-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methylhepta-1,5-dien-3-amine
PubChem CID142113031
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N-diethyl-6-methylhepta-1,5-dien-3-amine
SMILESC=CC(CC=C(C)C)N(CC)CC
InChIInChI=1S/C12H23N/c1-6-12(10-9-11(4)5)13(7-2)8-3/h6,9,12H,1,7-8,10H2,2-5H3
InChIKeyVTIJKZFTRJWQSC-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-6-methylhepta-1,5-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(diethylamino)-5-methylhex-4-enoate
CID 23265794
1-N,1-N,1-N',1-N'-tetraethylprop-2-ene-1,1-diamine
CID 102472696
3,5,8-trimethylnona-1,7-diene
CID 123488814
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
N-methyl-N-(3-methylbut-2-enylsilyl)ethanamine
CID 174048144
4-(diethylamino)-2-methylhexa-2,5-dienoic acid
CID 173403917
5-ethenyl-2-methyldodec-2-ene
CID 134980281
5-methyl-2-propylhex-4-enal
CID 12923922
N,N-diethyl-4-methylpent-3-en-1-amine
CID 12610282
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
2,5-dimethylhept-2-ene;ethane
CID 144650208
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylhepta-1,5-dien-3-amine?
The IUPAC name of N,N-diethyl-6-methylhepta-1,5-dien-3-amine (CID 142113031) is N,N-diethyl-6-methylhepta-1,5-dien-3-amine.
What is the SMILES notation for N,N-diethyl-6-methylhepta-1,5-dien-3-amine?
The canonical SMILES for N,N-diethyl-6-methylhepta-1,5-dien-3-amine is C=CC(CC=C(C)C)N(CC)CC.
What is the InChIKey of N,N-diethyl-6-methylhepta-1,5-dien-3-amine?
The InChIKey is VTIJKZFTRJWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-12(10-9-11(4)5)13(7-2)8-3/h6,9,12H,1,7-8,10H2,2-5H3.
What are the key properties of N,N-diethyl-6-methylhepta-1,5-dien-3-amine?
N,N-diethyl-6-methylhepta-1,5-dien-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylhepta-1,5-dien-3-amine is sourced from PubChem (CID 142113031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).