1-(cyclohepten-1-yl)-2-propoxyethanamine

C12H23NO — CID 106652723

IUPAC1-(cyclohepten-1-yl)-2-propoxyethanamine
SMILESCCCOCC(N)C1=CCCCCC1
InChIInChI=1S/C12H23NO/c1-2-9-14-10-12(13)11-7-5-3-4-6-8-11/h7,12H,2-6,8-10,13H2,1H3
InChIKeyCVPZSKGRAKKJMQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2-propoxyethanamine

1-(cyclohepten-1-yl)-2-propoxyethanamine (PubChem CID 106652723) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-propoxyethanamine
PubChem CID106652723
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohepten-1-yl)-2-propoxyethanamine
SMILESCCCOCC(N)C1=CCCCCC1
InChIInChI=1S/C12H23NO/c1-2-9-14-10-12(13)11-7-5-3-4-6-8-11/h7,12H,2-6,8-10,13H2,1H3
InChIKeyCVPZSKGRAKKJMQ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
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

1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
[1-(cyclohexen-1-yl)-2-propoxyethyl]hydrazine
CID 106648755
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654843
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cyclopenten-1-yl)pentan-1-amine
CID 62078864

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-propoxyethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-propoxyethanamine (CID 106652723) is 1-(cyclohepten-1-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-propoxyethanamine is CCCOCC(N)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-propoxyethanamine?
The InChIKey is CVPZSKGRAKKJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-9-14-10-12(13)11-7-5-3-4-6-8-11/h7,12H,2-6,8-10,13H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-propoxyethanamine?
1-(cyclohepten-1-yl)-2-propoxyethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-propoxyethanamine is sourced from PubChem (CID 106652723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).