5-(pentan-2-ylamino)pentan-2-ol

C10H23NO — CID 107270408

IUPAC5-(pentan-2-ylamino)pentan-2-ol
SMILESCCCC(C)NCCCC(C)O
InChIInChI=1S/C10H23NO/c1-4-6-9(2)11-8-5-7-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyOCDAMXSCVXNECA-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds7

About 5-(pentan-2-ylamino)pentan-2-ol

5-(pentan-2-ylamino)pentan-2-ol (PubChem CID 107270408) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-(pentan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(pentan-2-ylamino)pentan-2-ol
PubChem CID107270408
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-(pentan-2-ylamino)pentan-2-ol
SMILESCCCC(C)NCCCC(C)O
InChIInChI=1S/C10H23NO/c1-4-6-9(2)11-8-5-7-10(3)12/h9-12H,4-8H2,1-3H3
InChIKeyOCDAMXSCVXNECA-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
CID 103110031
N-pentan-2-ylheptan-1-amine
CID 43129169
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
N-butylundecan-2-amine
CID 90035852
5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
4-bromo-N-butylbutan-2-amine
CID 83187017
N-pent-4-ynylpentan-2-amine
CID 115724855
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932

Frequently Asked Questions

What is the IUPAC name of 5-(pentan-2-ylamino)pentan-2-ol?
The IUPAC name of 5-(pentan-2-ylamino)pentan-2-ol (CID 107270408) is 5-(pentan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(pentan-2-ylamino)pentan-2-ol?
The canonical SMILES for 5-(pentan-2-ylamino)pentan-2-ol is CCCC(C)NCCCC(C)O.
What is the InChIKey of 5-(pentan-2-ylamino)pentan-2-ol?
The InChIKey is OCDAMXSCVXNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-9(2)11-8-5-7-10(3)12/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-(pentan-2-ylamino)pentan-2-ol?
5-(pentan-2-ylamino)pentan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 107270408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).