2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine

C14H25N — CID 70331289

IUPAC2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine
SMILESCC1=CCC(C(C)(C)CC(C)(C)N)C=C1
InChIInChI=1S/C14H25N/c1-11-6-8-12(9-7-11)13(2,3)10-14(4,5)15/h6-8,12H,9-10,15H2,1-5H3
InChIKeyNRMRJOZWYRVSIG-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.66
Rot. Bonds3

About 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine

2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine (PubChem CID 70331289) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine
PubChem CID70331289
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine
SMILESCC1=CCC(C(C)(C)CC(C)(C)N)C=C1
InChIInChI=1S/C14H25N/c1-11-6-8-12(9-7-11)13(2,3)10-14(4,5)15/h6-8,12H,9-10,15H2,1-5H3
InChIKeyNRMRJOZWYRVSIG-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1Z,4Z)-7Alphah-11-Aminogermacra-1(10),4-Diene
CID 11276079
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
3-Cyclohexene-1-methanamine, alpha,alpha,4-trimethyl-
CID 547150
poly(beta-D-mannuronate) lyase
CID 168356126
2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine
CID 162850210
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-amine
CID 15736831
1N-Butylanilin
CID 68125233
2,6,6-Trimethylbicyclo[3.1.1]hept-2-en-1-amine
CID 90960121
1-Methyl-4-(propan-2-yl)cyclohex-3-en-1-amine
CID 129834359
5-Fluoro-1-heptan-3-ylcyclohexa-2,4-dien-1-amine
CID 67598676
6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine
CID 146210080
4-Tert-butyl-3-fluoro-1,5,5-trimethyl-6-methylidenecyclohex-2-en-1-amine
CID 164026686

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine?
The IUPAC name of 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine (CID 70331289) is 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine.
What is the SMILES notation for 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine?
The canonical SMILES for 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine is CC1=CCC(C(C)(C)CC(C)(C)N)C=C1.
What is the InChIKey of 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine?
The InChIKey is NRMRJOZWYRVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-6-8-12(9-7-11)13(2,3)10-14(4,5)15/h6-8,12H,9-10,15H2,1-5H3.
What are the key properties of 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine?
2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine is sourced from PubChem (CID 70331289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).