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

C8H16N2O — CID 90726751

IUPACN-(2-aminoethoxy)cyclohexen-1-amine
SMILESNCCONC1=CCCCC1
InChIInChI=1S/C8H16N2O/c9-6-7-11-10-8-4-2-1-3-5-8/h4,10H,1-3,5-7,9H2
InChIKeyVKFHJSZCNYHYOO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.92
Rot. Bonds4

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

N-(2-aminoethoxy)cyclohexen-1-amine (PubChem CID 90726751) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(2-aminoethoxy)cyclohexen-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)cyclohexen-1-amine
PubChem CID90726751
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(2-aminoethoxy)cyclohexen-1-amine
SMILESNCCONC1=CCCCC1
InChIInChI=1S/C8H16N2O/c9-6-7-11-10-8-4-2-1-3-5-8/h4,10H,1-3,5-7,9H2
InChIKeyVKFHJSZCNYHYOO-UHFFFAOYSA-N
XLogP0.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexen-1-ylamino)oxypropanoic acid
CID 57306132
N-but-2-ynoxycyclohexen-1-amine
CID 91804644
1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
N-[[4,6-bis[(cycloocten-1-ylamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloocten-1-amine
CID 90930542
N'-(cyclopenten-1-yl)methanediamine;hydrochloride
CID 67709379
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
CID 117059096
N-trimethylsilyloxycyclopenten-1-amine
CID 91482678
2-(cyclohexen-1-ylamino)ethanol
CID 54095999
N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine
CID 91521077
N-[[4-chloro-6-(cyclotridecen-1-ylamino)oxy-1,3,5-triazin-2-yl]oxy]cyclotridecen-1-amine
CID 91221238
2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
CID 106655526
(cyclohexen-1-ylamino) benzenesulfonate
CID 91196759

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)cyclohexen-1-amine?
The IUPAC name of N-(2-aminoethoxy)cyclohexen-1-amine (CID 90726751) is N-(2-aminoethoxy)cyclohexen-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)cyclohexen-1-amine?
The canonical SMILES for N-(2-aminoethoxy)cyclohexen-1-amine is NCCONC1=CCCCC1.
What is the InChIKey of N-(2-aminoethoxy)cyclohexen-1-amine?
The InChIKey is VKFHJSZCNYHYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-6-7-11-10-8-4-2-1-3-5-8/h4,10H,1-3,5-7,9H2.
What are the key properties of N-(2-aminoethoxy)cyclohexen-1-amine?
N-(2-aminoethoxy)cyclohexen-1-amine has a molecular weight of 156.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)cyclohexen-1-amine is sourced from PubChem (CID 90726751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).