N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine

C18H29NO — CID 115778492

IUPACN-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OCCC)c1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-12-19-18(15-8-5-6-9-15)16-10-7-11-17(14-16)20-13-4-2/h7,10-11,14-15,18-19H,3-6,8-9,12-13H2,1-2H3
InChIKeyNOALMGXCRWXIKT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.71
Rot. Bonds8

About N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine

N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine (PubChem CID 115778492) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
PubChem CID115778492
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OCCC)c1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-12-19-18(15-8-5-6-9-15)16-10-7-11-17(14-16)20-13-4-2/h7,10-11,14-15,18-19H,3-6,8-9,12-13H2,1-2H3
InChIKeyNOALMGXCRWXIKT-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N-[(3-bromo-4-propoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 104658099
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine (CID 115778492) is N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OCCC)c1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is NOALMGXCRWXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-18(15-8-5-6-9-15)16-10-7-11-17(14-16)20-13-4-2/h7,10-11,14-15,18-19H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine?
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115778492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).