N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine

C13H25N — CID 79178266

IUPACN,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine
SMILESC=C(C)CC(NC)C1CCCC(C)C1
InChIInChI=1S/C13H25N/c1-10(2)8-13(14-4)12-7-5-6-11(3)9-12/h11-14H,1,5-9H2,2-4H3
InChIKeyBDKXPKOSBTZAGS-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds4

About N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine

N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine (PubChem CID 79178266) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine
PubChem CID79178266
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine
SMILESC=C(C)CC(NC)C1CCCC(C)C1
InChIInChI=1S/C13H25N/c1-10(2)8-13(14-4)12-7-5-6-11(3)9-12/h11-14H,1,5-9H2,2-4H3
InChIKeyBDKXPKOSBTZAGS-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-methylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037347
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600
[1-(3-methylcyclohexyl)-3-methylidenepentyl]hydrazine
CID 105210418
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
2-hydrazinyl-N,N-dimethyl-2-(3-methylcyclohexyl)ethanamine
CID 105244675
4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 105156016
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
(Z)-N-[1-(3-methylcyclohexyl)propyl]but-2-en-2-amine
CID 138528385
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
1-cyclobutyl-N,4-dimethylpent-4-en-2-amine
CID 103169029

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine (CID 79178266) is N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine is C=C(C)CC(NC)C1CCCC(C)C1.
What is the InChIKey of N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine?
The InChIKey is BDKXPKOSBTZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)8-13(14-4)12-7-5-6-11(3)9-12/h11-14H,1,5-9H2,2-4H3.
What are the key properties of N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine?
N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine is sourced from PubChem (CID 79178266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).