N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C19H37NO — CID 64852747

IUPACN-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(OCC(C)C)C2(C)C)CC1
InChIInChI=1S/C19H37NO/c1-6-15-7-9-16(10-8-15)12-20-17-11-18(19(17,4)5)21-13-14(2)3/h14-18,20H,6-13H2,1-5H3
InChIKeyRINSRBLZKFHLJF-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.63
Rot. Bonds7

About N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64852747) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64852747
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(OCC(C)C)C2(C)C)CC1
InChIInChI=1S/C19H37NO/c1-6-15-7-9-16(10-8-15)12-20-17-11-18(19(17,4)5)21-13-14(2)3/h14-18,20H,6-13H2,1-5H3
InChIKeyRINSRBLZKFHLJF-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64852747) is N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CCC1CCC(CNC2CC(OCC(C)C)C2(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is RINSRBLZKFHLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-6-15-7-9-16(10-8-15)12-20-17-11-18(19(17,4)5)21-13-14(2)3/h14-18,20H,6-13H2,1-5H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64852747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).