N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine

C12H23NO — CID 43180696

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
SMILESCCOCCCNCC1CC=CCC1
InChIInChI=1S/C12H23NO/c1-2-14-10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3
InChIKeyHZWLZGYKFFPDKU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine (PubChem CID 43180696) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
PubChem CID43180696
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
SMILESCCOCCCNCC1CC=CCC1
InChIInChI=1S/C12H23NO/c1-2-14-10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3
InChIKeyHZWLZGYKFFPDKU-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine (CID 43180696) is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine is CCOCCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine?
The InChIKey is HZWLZGYKFFPDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-14-10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine is sourced from PubChem (CID 43180696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).