N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine

C15H27N — CID 167250513

IUPACN-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCC(C)C(C)CNC1=CCC(C)(C)C=C1
InChIInChI=1S/C15H27N/c1-6-12(2)13(3)11-16-14-7-9-15(4,5)10-8-14/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyXPMMZJRJNOFIMJ-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.13
Rot. Bonds5

About N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine

N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 167250513) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID167250513
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCC(C)C(C)CNC1=CCC(C)(C)C=C1
InChIInChI=1S/C15H27N/c1-6-12(2)13(3)11-16-14-7-9-15(4,5)10-8-14/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyXPMMZJRJNOFIMJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylhexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 117695513
Ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine
CID 143824332
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
3-fluoro-4-N,4-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 172728621
N-ethyl-3-[(1R,5R)-2-fluoro-4,4,5-trimethylcyclopent-2-en-1-yl]but-1-en-2-amine
CID 173817515
2-Isobutyl-2,4-diisopropylpyridine
CID 129675219
N-[(6-propylcyclohexa-2,4-dien-1-yl)methyl]propan-1-amine
CID 134855454
3-Methyl-indole-d8
CID 168719953
2,6-Ditert-butyl-1,2-dihydropyridine
CID 17915368
6-Cyclopentyl-1,2-dihydropyridine
CID 18625672
N-cyclohexyl-3,5,5-trimethylcyclohexen-1-amine
CID 20487835
2,2-ditert-butyl-4-methyl-1H-pyridine
CID 21253935

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine (CID 167250513) is N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine is CCC(C)C(C)CNC1=CCC(C)(C)C=C1.
What is the InChIKey of N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is XPMMZJRJNOFIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-12(2)13(3)11-16-14-7-9-15(4,5)10-8-14/h7-9,12-13,16H,6,10-11H2,1-5H3.
What are the key properties of N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine?
N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167250513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).