2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

C14H25NO — CID 104586579

IUPAC2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCC1(CNCCC2=CCCC2)CCOCC1
InChIInChI=1S/C14H25NO/c1-14(7-10-16-11-8-14)12-15-9-6-13-4-2-3-5-13/h4,15H,2-3,5-12H2,1H3
InChIKeyVTIMPRBVMCPSRL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 104586579) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID104586579
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCC1(CNCCC2=CCCC2)CCOCC1
InChIInChI=1S/C14H25NO/c1-14(7-10-16-11-8-14)12-15-9-6-13-4-2-3-5-13/h4,15H,2-3,5-12H2,1H3
InChIKeyVTIMPRBVMCPSRL-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(methoxymethyl)piperidine
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N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
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CID 79328762
N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
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N-ethyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79330203
N-ethyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79338892
3-methyl-2-(oxan-4-ylmethylidene)-N-propylbutan-1-amine
CID 79339800
3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79339927
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CID 79598482

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 104586579) is 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is CC1(CNCCC2=CCCC2)CCOCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is VTIMPRBVMCPSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(7-10-16-11-8-14)12-15-9-6-13-4-2-3-5-13/h4,15H,2-3,5-12H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 104586579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).