N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine

C18H30N2O — CID 78912486

IUPACN,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCCCOc1ccc(CNCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-13-21-17-9-7-16(8-10-17)14-19-15-18(20(2)3)11-5-6-12-18/h7-10,19H,4-6,11-15H2,1-3H3
InChIKeyDTLWKXKZOQTJBE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds8

About N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 78912486) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
PubChem CID78912486
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCCCOc1ccc(CNCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-13-21-17-9-7-16(8-10-17)14-19-15-18(20(2)3)11-5-6-12-18/h7-10,19H,4-6,11-15H2,1-3H3
InChIKeyDTLWKXKZOQTJBE-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine (CID 78912486) is N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine is CCCOc1ccc(CNCC2(N(C)C)CCCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is DTLWKXKZOQTJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-13-21-17-9-7-16(8-10-17)14-19-15-18(20(2)3)11-5-6-12-18/h7-10,19H,4-6,11-15H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 8 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-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 78912486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).