3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine

C15H28N2 — CID 126746317

IUPAC3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine
SMILESCCC1(C)CC(NC2=CC2C)CC(C)(CN)C1
InChIInChI=1S/C15H28N2/c1-5-14(3)7-12(17-13-6-11(13)2)8-15(4,9-14)10-16/h6,11-12,17H,5,7-10,16H2,1-4H3
InChIKeyYOCNTAKRMTZJCZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.04
Rot. Bonds4

About 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine

3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine (PubChem CID 126746317) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine
PubChem CID126746317
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine
SMILESCCC1(C)CC(NC2=CC2C)CC(C)(CN)C1
InChIInChI=1S/C15H28N2/c1-5-14(3)7-12(17-13-6-11(13)2)8-15(4,9-14)10-16/h6,11-12,17H,5,7-10,16H2,1-4H3
InChIKeyYOCNTAKRMTZJCZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine (CID 126746317) is 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine is CCC1(C)CC(NC2=CC2C)CC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine?
The InChIKey is YOCNTAKRMTZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-14(3)7-12(17-13-6-11(13)2)8-15(4,9-14)10-16/h6,11-12,17H,5,7-10,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine?
3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 126746317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).