N-[(3-hexoxyphenyl)methyl]cyclopentanamine

C18H29NO — CID 54850259

IUPACN-[(3-hexoxyphenyl)methyl]cyclopentanamine
SMILESCCCCCCOc1cccc(CNC2CCCC2)c1
InChIInChI=1S/C18H29NO/c1-2-3-4-7-13-20-18-12-8-9-16(14-18)15-19-17-10-5-6-11-17/h8-9,12,14,17,19H,2-7,10-11,13,15H2,1H3
InChIKeyOLBYEGBKVRSDEP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.68
Rot. Bonds9

About N-[(3-hexoxyphenyl)methyl]cyclopentanamine

N-[(3-hexoxyphenyl)methyl]cyclopentanamine (PubChem CID 54850259) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3-hexoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3-hexoxyphenyl)methyl]cyclopentanamine
PubChem CID54850259
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3-hexoxyphenyl)methyl]cyclopentanamine
SMILESCCCCCCOc1cccc(CNC2CCCC2)c1
InChIInChI=1S/C18H29NO/c1-2-3-4-7-13-20-18-12-8-9-16(14-18)15-19-17-10-5-6-11-17/h8-9,12,14,17,19H,2-7,10-11,13,15H2,1H3
InChIKeyOLBYEGBKVRSDEP-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371

Frequently Asked Questions

What is the IUPAC name of N-[(3-hexoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(3-hexoxyphenyl)methyl]cyclopentanamine (CID 54850259) is N-[(3-hexoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3-hexoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3-hexoxyphenyl)methyl]cyclopentanamine is CCCCCCOc1cccc(CNC2CCCC2)c1.
What is the InChIKey of N-[(3-hexoxyphenyl)methyl]cyclopentanamine?
The InChIKey is OLBYEGBKVRSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-7-13-20-18-12-8-9-16(14-18)15-19-17-10-5-6-11-17/h8-9,12,14,17,19H,2-7,10-11,13,15H2,1H3.
What are the key properties of N-[(3-hexoxyphenyl)methyl]cyclopentanamine?
N-[(3-hexoxyphenyl)methyl]cyclopentanamine has a molecular weight of 275.44 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hexoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 54850259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).