N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine

C17H28N2O — CID 78915355

IUPACN,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNCCCOc2ccccc2)CCCC1
InChIInChI=1S/C17H28N2O/c1-19(2)17(11-6-7-12-17)15-18-13-8-14-20-16-9-4-3-5-10-16/h3-5,9-10,18H,6-8,11-15H2,1-2H3
InChIKeyBRPNSUUHQZYHIG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds8

About N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine

N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine (PubChem CID 78915355) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
PubChem CID78915355
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNCCCOc2ccccc2)CCCC1
InChIInChI=1S/C17H28N2O/c1-19(2)17(11-6-7-12-17)15-18-13-8-14-20-16-9-4-3-5-10-16/h3-5,9-10,18H,6-8,11-15H2,1-2H3
InChIKeyBRPNSUUHQZYHIG-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
N-methyl-1-[1-(2-phenoxyethoxy)cyclopentyl]methanamine
CID 62110207
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426
1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 62936265

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine (CID 78915355) is N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine is CN(C)C1(CNCCCOc2ccccc2)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine?
The InChIKey is BRPNSUUHQZYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)17(11-6-7-12-17)15-18-13-8-14-20-16-9-4-3-5-10-16/h3-5,9-10,18H,6-8,11-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 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-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 78915355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).