N-(2-methoxyethyl)cyclohexen-1-amine

C9H17NO — CID 54425552

IUPACN-(2-methoxyethyl)cyclohexen-1-amine
SMILESCOCCNC1=CCCCC1
InChIInChI=1S/C9H17NO/c1-11-8-7-10-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3
InChIKeyWDVDNBALDDSWBI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds4

About N-(2-methoxyethyl)cyclohexen-1-amine

N-(2-methoxyethyl)cyclohexen-1-amine (PubChem CID 54425552) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)cyclohexen-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)cyclohexen-1-amine
PubChem CID54425552
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2-methoxyethyl)cyclohexen-1-amine
SMILESCOCCNC1=CCCCC1
InChIInChI=1S/C9H17NO/c1-11-8-7-10-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3
InChIKeyWDVDNBALDDSWBI-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)icosa-5,8,11,14-tetraen-1-amine
CID 49824017
2-(Cyclohexen-1-ylamino)ethanol
CID 54095999
N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine
CID 54569360
N-(3-methoxypropyl)cyclohexen-1-amine
CID 85867554
2-[[(6Z,9Z,12Z,15Z)-henicosa-1,6,9,12,15-pentaen-2-yl]amino]ethanol
CID 88566400
N-(cyclohexen-1-ylmethyl)-2-methoxyethanamine
CID 89520652
2-[2-[2-(Cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol
CID 90920631
2-[2-(Cyclohexen-1-ylamino)ethoxy]ethanol
CID 91090721
(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine
CID 134406202
5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
CID 139780446
(Z)-N-(2-propoxyethyl)hex-2-en-2-amine
CID 142601681
N-cyclohex-3-en-1-yloxetan-3-amine;ethane
CID 145406279

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)cyclohexen-1-amine?
The IUPAC name of N-(2-methoxyethyl)cyclohexen-1-amine (CID 54425552) is N-(2-methoxyethyl)cyclohexen-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)cyclohexen-1-amine?
The canonical SMILES for N-(2-methoxyethyl)cyclohexen-1-amine is COCCNC1=CCCCC1.
What is the InChIKey of N-(2-methoxyethyl)cyclohexen-1-amine?
The InChIKey is WDVDNBALDDSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-8-7-10-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)cyclohexen-1-amine?
N-(2-methoxyethyl)cyclohexen-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)cyclohexen-1-amine is sourced from PubChem (CID 54425552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).