amino-[4-(aminomethyl)cyclohexen-1-yl]methanol

C8H16N2O — CID 89038782

IUPACamino-[4-(aminomethyl)cyclohexen-1-yl]methanol
SMILESNCC1CC=C(C(N)O)CC1
InChIInChI=1S/C8H16N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6,8,11H,1-2,4-5,9-10H2
InChIKeyRVRYXFORGGVGEL-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.05
Rot. Bonds2

About amino-[4-(aminomethyl)cyclohexen-1-yl]methanol

amino-[4-(aminomethyl)cyclohexen-1-yl]methanol (PubChem CID 89038782) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is amino-[4-(aminomethyl)cyclohexen-1-yl]methanol.

Molecular Properties

Compound Nameamino-[4-(aminomethyl)cyclohexen-1-yl]methanol
PubChem CID89038782
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameamino-[4-(aminomethyl)cyclohexen-1-yl]methanol
SMILESNCC1CC=C(C(N)O)CC1
InChIInChI=1S/C8H16N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6,8,11H,1-2,4-5,9-10H2
InChIKeyRVRYXFORGGVGEL-UHFFFAOYSA-N
XLogP-0.05
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-(aminomethyl)cyclohexen-1-yl]methanol?
The IUPAC name of amino-[4-(aminomethyl)cyclohexen-1-yl]methanol (CID 89038782) is amino-[4-(aminomethyl)cyclohexen-1-yl]methanol.
What is the SMILES notation for amino-[4-(aminomethyl)cyclohexen-1-yl]methanol?
The canonical SMILES for amino-[4-(aminomethyl)cyclohexen-1-yl]methanol is NCC1CC=C(C(N)O)CC1.
What is the InChIKey of amino-[4-(aminomethyl)cyclohexen-1-yl]methanol?
The InChIKey is RVRYXFORGGVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6,8,11H,1-2,4-5,9-10H2.
What are the key properties of amino-[4-(aminomethyl)cyclohexen-1-yl]methanol?
amino-[4-(aminomethyl)cyclohexen-1-yl]methanol has a molecular weight of 156.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(aminomethyl)cyclohexen-1-yl]methanol is sourced from PubChem (CID 89038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).