N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine

C15H30N2 — CID 80998764

IUPACN-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine
SMILESCCNCC1CCC1N(C)C1CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-4-16-11-13-8-9-15(13)17(3)14-7-5-6-12(2)10-14/h12-16H,4-11H2,1-3H3
InChIKeyKYULAVDMEYYRPT-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine

N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine (PubChem CID 80998764) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine
PubChem CID80998764
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine
SMILESCCNCC1CCC1N(C)C1CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-4-16-11-13-8-9-15(13)17(3)14-7-5-6-12(2)10-14/h12-16H,4-11H2,1-3H3
InChIKeyKYULAVDMEYYRPT-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine (CID 80998764) is N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine is CCNCC1CCC1N(C)C1CCCC(C)C1.
What is the InChIKey of N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine?
The InChIKey is KYULAVDMEYYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-16-11-13-8-9-15(13)17(3)14-7-5-6-12(2)10-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine?
N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 80998764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).