N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine

C18H30N2O — CID 115281280

IUPACN,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCC(C)Oc1ccc(CNCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)21-17-9-7-16(8-10-17)13-19-14-18(20(3)4)11-5-6-12-18/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyJWQONLIYPACWQU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

About N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 115281280) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
PubChem CID115281280
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCC(C)Oc1ccc(CNCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)21-17-9-7-16(8-10-17)13-19-14-18(20(3)4)11-5-6-12-18/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyJWQONLIYPACWQU-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine (CID 115281280) is N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine is CC(C)Oc1ccc(CNCC2(N(C)C)CCCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is JWQONLIYPACWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)21-17-9-7-16(8-10-17)13-19-14-18(20(3)4)11-5-6-12-18/h7-10,15,19H,5-6,11-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 115281280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).