N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine

C12H23N — CID 143366441

IUPACN-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)CC(C)CC
InChIInChI=1S/C12H23N/c1-6-8-9-12(4)13(5)10-11(3)7-2/h6,11H,1,4,7-10H2,2-3,5H3
InChIKeySYHIXOZCLBOMJJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.44
Rot. Bonds7

About N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine

N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine (PubChem CID 143366441) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
PubChem CID143366441
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)CC(C)CC
InChIInChI=1S/C12H23N/c1-6-8-9-12(4)13(5)10-11(3)7-2/h6,11H,1,4,7-10H2,2-3,5H3
InChIKeySYHIXOZCLBOMJJ-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
CID 90787138
ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
CID 162360697
1-[hexa-1,5-dien-2-yl(methyl)amino]-3-methylhexan-2-one
CID 138706016
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
N,N-diaminohexa-1,5-dien-2-amine
CID 171097369
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
N-ethyl-N,5-dimethylhex-1-en-2-amine
CID 89100834
N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
CID 145373050
N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
CID 155696813
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine?
The IUPAC name of N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine (CID 143366441) is N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine?
The canonical SMILES for N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine is C=CCCC(=C)N(C)CC(C)CC.
What is the InChIKey of N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine?
The InChIKey is SYHIXOZCLBOMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-9-12(4)13(5)10-11(3)7-2/h6,11H,1,4,7-10H2,2-3,5H3.
What are the key properties of N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine?
N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine is sourced from PubChem (CID 143366441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).