(Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol

C13H26N2O — CID 143004097

IUPAC(Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol
SMILESCC/C(O)=C(\CC)CNC1CCCCC1N
InChIInChI=1S/C13H26N2O/c1-3-10(13(16)4-2)9-15-12-8-6-5-7-11(12)14/h11-12,15-16H,3-9,14H2,1-2H3/b13-10-
InChIKeyWMIKGRIZGMXPJC-RAXLEYEMSA-N
MW226.36 g/mol
LogP2.48
Rot. Bonds5

About (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol

(Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol (PubChem CID 143004097) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol.

Molecular Properties

Compound Name(Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol
PubChem CID143004097
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol
SMILESCC/C(O)=C(\CC)CNC1CCCCC1N
InChIInChI=1S/C13H26N2O/c1-3-10(13(16)4-2)9-15-12-8-6-5-7-11(12)14/h11-12,15-16H,3-9,14H2,1-2H3/b13-10-
InChIKeyWMIKGRIZGMXPJC-RAXLEYEMSA-N
XLogP2.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[2-(cyclohexylamino)cyclohexylidene]ethanol
CID 141282384
(3Z)-4-[[(2-aminocyclohexyl)amino]methyl]hexa-3,5-dien-3-ol
CID 164099836
(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol
CID 102279304
(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol
CID 143004103

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol?
The IUPAC name of (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol (CID 143004097) is (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol.
What is the SMILES notation for (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol?
The canonical SMILES for (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol is CC/C(O)=C(\CC)CNC1CCCCC1N.
What is the InChIKey of (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol?
The InChIKey is WMIKGRIZGMXPJC-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10(13(16)4-2)9-15-12-8-6-5-7-11(12)14/h11-12,15-16H,3-9,14H2,1-2H3/b13-10-.
What are the key properties of (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol?
(Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol has a molecular weight of 226.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[(2-aminocyclohexyl)amino]methyl]hex-3-en-3-ol is sourced from PubChem (CID 143004097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).