N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine

C14H27N — CID 123293577

IUPACN,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine
SMILESCC(C)=C=CC(C)(C)N(C)CCC(C)C
InChIInChI=1S/C14H27N/c1-12(2)8-10-14(5,6)15(7)11-9-13(3)4/h10,13H,9,11H2,1-7H3
InChIKeyKNPCTSWQVMDTRQ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.86
Rot. Bonds5

About N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine

N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine (PubChem CID 123293577) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine
PubChem CID123293577
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine
SMILESCC(C)=C=CC(C)(C)N(C)CCC(C)C
InChIInChI=1S/C14H27N/c1-12(2)8-10-14(5,6)15(7)11-9-13(3)4/h10,13H,9,11H2,1-7H3
InChIKeyKNPCTSWQVMDTRQ-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
2,3,6-trimethylhepta-4,5-dien-3-ol
CID 12555430
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine
CID 174381732
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62534549
N-(2,4-dimethylpent-3-en-2-yl)-N,2,4-trimethylpentan-2-amine
CID 130314453
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
CID 115252113
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine?
The IUPAC name of N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine (CID 123293577) is N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine.
What is the SMILES notation for N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine?
The canonical SMILES for N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine is CC(C)=C=CC(C)(C)N(C)CCC(C)C.
What is the InChIKey of N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine?
The InChIKey is KNPCTSWQVMDTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)8-10-14(5,6)15(7)11-9-13(3)4/h10,13H,9,11H2,1-7H3.
What are the key properties of N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine?
N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine is sourced from PubChem (CID 123293577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).