3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium

C10H22NO+ — CID 7061517

IUPAC3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium
SMILESC=CC[C@@H]([NH2+]CCCO)C(C)C
InChIInChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3/p+1/t10-/m1/s1
InChIKeyLIYVIZSRTSCAJW-SNVBAGLBSA-O
MW172.29 g/mol
LogP0.53
Rot. Bonds7

About 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium

3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium (PubChem CID 7061517) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium.

Molecular Properties

Compound Name3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium
PubChem CID7061517
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium
SMILESC=CC[C@@H]([NH2+]CCCO)C(C)C
InChIInChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3/p+1/t10-/m1/s1
InChIKeyLIYVIZSRTSCAJW-SNVBAGLBSA-O
XLogP0.53
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(But-3-enylamino)-3-methylbutan-1-ol
CID 57591248
3-(But-3-enylamino)butan-1-ol
CID 83177296
1-(4-Methylhepta-1,6-dien-4-ylamino)ethanol
CID 87438839
1-(2-Prop-2-enylpent-4-enylamino)ethanol
CID 87438840
1-(Hepta-1,6-dien-4-ylamino)ethanol
CID 88353986
2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol
CID 88557326
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
3-(Hex-5-enylamino)-2,2-dimethylpropan-1-ol
CID 150006195
2-methyl-1-[[(3R)-2-methylpent-1-en-3-yl]amino]propan-1-ol
CID 156459956
6-Methyl-5-(propan-2-ylamino)hept-1-en-3-ol
CID 171659799
3-(Pentylamino)pent-4-en-1-ol
CID 173352499

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium?
The IUPAC name of 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium (CID 7061517) is 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium.
What is the SMILES notation for 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium?
The canonical SMILES for 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium is C=CC[C@@H]([NH2+]CCCO)C(C)C.
What is the InChIKey of 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium?
The InChIKey is LIYVIZSRTSCAJW-SNVBAGLBSA-O. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3/p+1/t10-/m1/s1.
What are the key properties of 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium?
3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium has a molecular weight of 172.29 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium is sourced from PubChem (CID 7061517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).