2-methylidene-N-phenylmethoxycyclopentan-1-amine

C13H17NO — CID 10726841

IUPAC2-methylidene-N-phenylmethoxycyclopentan-1-amine
SMILESC=C1CCCC1NOCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-6-5-9-13(11)14-15-10-12-7-3-2-4-8-12/h2-4,7-8,13-14H,1,5-6,9-10H2
InChIKeyIVDCNSADIRWSJD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.82
Rot. Bonds4

About 2-methylidene-N-phenylmethoxycyclopentan-1-amine

2-methylidene-N-phenylmethoxycyclopentan-1-amine (PubChem CID 10726841) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methylidene-N-phenylmethoxycyclopentan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-phenylmethoxycyclopentan-1-amine
PubChem CID10726841
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-methylidene-N-phenylmethoxycyclopentan-1-amine
SMILESC=C1CCCC1NOCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-6-5-9-13(11)14-15-10-12-7-3-2-4-8-12/h2-4,7-8,13-14H,1,5-6,9-10H2
InChIKeyIVDCNSADIRWSJD-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 82710227
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 116531102
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
N-phenylmethoxyadamantan-2-amine
CID 15552592
N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64974310

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-phenylmethoxycyclopentan-1-amine?
The IUPAC name of 2-methylidene-N-phenylmethoxycyclopentan-1-amine (CID 10726841) is 2-methylidene-N-phenylmethoxycyclopentan-1-amine.
What is the SMILES notation for 2-methylidene-N-phenylmethoxycyclopentan-1-amine?
The canonical SMILES for 2-methylidene-N-phenylmethoxycyclopentan-1-amine is C=C1CCCC1NOCc1ccccc1.
What is the InChIKey of 2-methylidene-N-phenylmethoxycyclopentan-1-amine?
The InChIKey is IVDCNSADIRWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-6-5-9-13(11)14-15-10-12-7-3-2-4-8-12/h2-4,7-8,13-14H,1,5-6,9-10H2.
What are the key properties of 2-methylidene-N-phenylmethoxycyclopentan-1-amine?
2-methylidene-N-phenylmethoxycyclopentan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-phenylmethoxycyclopentan-1-amine is sourced from PubChem (CID 10726841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).