2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine

C12H26N2O — CID 67562604

IUPAC2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine
SMILESCOCCCN.NCCC1=CCCCC1
InChIInChI=1S/C8H15N.C4H11NO/c9-7-6-8-4-2-1-3-5-8;1-6-4-2-3-5/h4H,1-3,5-7,9H2;2-5H2,1H3
InChIKeyQNEQNDPUKKYZGR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.82
Rot. Bonds5

About 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine

2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine (PubChem CID 67562604) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine
PubChem CID67562604
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine
SMILESCOCCCN.NCCC1=CCCCC1
InChIInChI=1S/C8H15N.C4H11NO/c9-7-6-8-4-2-1-3-5-8;1-6-4-2-3-5/h4H,1-3,5-7,9H2;2-5H2,1H3
InChIKeyQNEQNDPUKKYZGR-UHFFFAOYSA-N
XLogP1.82
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

CID 89131571
CID 89131571
CID 91609641
CID 91609641
CID 141336352
CID 141336352
CID 141809845
CID 141809845
CID 144092188
CID 144092188
CID 62326173
CID 62326173
CID 65175115
CID 65175115
CID 106652646
CID 106652646
CID 116500768
CID 116500768
CID 129937613
CID 129937613

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine?
The IUPAC name of 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine (CID 67562604) is 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine?
The canonical SMILES for 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine is COCCCN.NCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine?
The InChIKey is QNEQNDPUKKYZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C4H11NO/c9-7-6-8-4-2-1-3-5-8;1-6-4-2-3-5/h4H,1-3,5-7,9H2;2-5H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine?
2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine is sourced from PubChem (CID 67562604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).