1-[[(3R)-hexan-3-yl]amino]propan-1-ol

C9H21NO — CID 163869071

IUPAC1-[[(3R)-hexan-3-yl]amino]propan-1-ol
SMILESCCC[C@@H](CC)NC(O)CC
InChIInChI=1S/C9H21NO/c1-4-7-8(5-2)10-9(11)6-3/h8-11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyPJEYYORDFXBNTE-VEDVMXKPSA-N
MW159.27 g/mol
LogP1.88
Rot. Bonds6

About 1-[[(3R)-hexan-3-yl]amino]propan-1-ol

1-[[(3R)-hexan-3-yl]amino]propan-1-ol (PubChem CID 163869071) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-[[(3R)-hexan-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[[(3R)-hexan-3-yl]amino]propan-1-ol
PubChem CID163869071
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-[[(3R)-hexan-3-yl]amino]propan-1-ol
SMILESCCC[C@@H](CC)NC(O)CC
InChIInChI=1S/C9H21NO/c1-4-7-8(5-2)10-9(11)6-3/h8-11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyPJEYYORDFXBNTE-VEDVMXKPSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-ylhexan-3-amine
CID 62118915
1-(octan-3-ylamino)hexan-1-ol
CID 155661048
1-(propan-2-ylamino)propan-1-ol
CID 20572331
2-(hexan-3-ylamino)butanenitrile
CID 62118190
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
CID 77028225
2-(hexan-3-ylamino)-3-hydroxypropanamide
CID 138623238
3-[[(3S)-hexan-3-yl]amino]but-3-en-2-ol
CID 144507309
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
CID 62119280
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-hexan-3-yl]amino]propan-1-ol?
The IUPAC name of 1-[[(3R)-hexan-3-yl]amino]propan-1-ol (CID 163869071) is 1-[[(3R)-hexan-3-yl]amino]propan-1-ol.
What is the SMILES notation for 1-[[(3R)-hexan-3-yl]amino]propan-1-ol?
The canonical SMILES for 1-[[(3R)-hexan-3-yl]amino]propan-1-ol is CCC[C@@H](CC)NC(O)CC.
What is the InChIKey of 1-[[(3R)-hexan-3-yl]amino]propan-1-ol?
The InChIKey is PJEYYORDFXBNTE-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-7-8(5-2)10-9(11)6-3/h8-11H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of 1-[[(3R)-hexan-3-yl]amino]propan-1-ol?
1-[[(3R)-hexan-3-yl]amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-hexan-3-yl]amino]propan-1-ol is sourced from PubChem (CID 163869071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).