[(4R)-4-hydroxyhexan-3-ylidene]azanium

C6H14NO+ — CID 59915605

IUPAC[(4R)-4-hydroxyhexan-3-ylidene]azanium
SMILESCCC(=[NH2+])[C@H](O)CC
InChIInChI=1S/C6H13NO/c1-3-5(7)6(8)4-2/h6-8H,3-4H2,1-2H3/p+1/t6-/m1/s1
InChIKeyYJCVTCQPTXIPFB-ZCFIWIBFSA-O
MW116.18 g/mol
LogP-0.63
Rot. Bonds3

About [(4R)-4-hydroxyhexan-3-ylidene]azanium

[(4R)-4-hydroxyhexan-3-ylidene]azanium (PubChem CID 59915605) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is [(4R)-4-hydroxyhexan-3-ylidene]azanium.

Molecular Properties

Compound Name[(4R)-4-hydroxyhexan-3-ylidene]azanium
PubChem CID59915605
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name[(4R)-4-hydroxyhexan-3-ylidene]azanium
SMILESCCC(=[NH2+])[C@H](O)CC
InChIInChI=1S/C6H13NO/c1-3-5(7)6(8)4-2/h6-8H,3-4H2,1-2H3/p+1/t6-/m1/s1
InChIKeyYJCVTCQPTXIPFB-ZCFIWIBFSA-O
XLogP-0.63
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Iminocyclohexanol
CID 21113633
4-Iminopentanol
CID 123912692
1-Fluoro-3-iminobutan-2-ol
CID 88890969
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
3-Iminobutan-1-ol
CID 54468047
3-Iminopentan-1-ol
CID 57151415
3-Iminohexan-1-ol
CID 57298949
3-Iminobutan-2-ol
CID 57634791
6-Hydroxyhexan-2-ylideneazanium
CID 59112895
5-Iminohexan-1-ol
CID 59112896
4-Iminohexan-3-ol
CID 72595089
4-Hydroxyiminohexan-3-ol
CID 73885656

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxyhexan-3-ylidene]azanium?
The IUPAC name of [(4R)-4-hydroxyhexan-3-ylidene]azanium (CID 59915605) is [(4R)-4-hydroxyhexan-3-ylidene]azanium.
What is the SMILES notation for [(4R)-4-hydroxyhexan-3-ylidene]azanium?
The canonical SMILES for [(4R)-4-hydroxyhexan-3-ylidene]azanium is CCC(=[NH2+])[C@H](O)CC.
What is the InChIKey of [(4R)-4-hydroxyhexan-3-ylidene]azanium?
The InChIKey is YJCVTCQPTXIPFB-ZCFIWIBFSA-O. The full InChI is InChI=1S/C6H13NO/c1-3-5(7)6(8)4-2/h6-8H,3-4H2,1-2H3/p+1/t6-/m1/s1.
What are the key properties of [(4R)-4-hydroxyhexan-3-ylidene]azanium?
[(4R)-4-hydroxyhexan-3-ylidene]azanium has a molecular weight of 116.18 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxyhexan-3-ylidene]azanium is sourced from PubChem (CID 59915605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).