(2S)-2-(pentylamino)butan-1-ol

C9H21NO — CID 28724748

IUPAC(2S)-2-(pentylamino)butan-1-ol
SMILESCCCCCN[C@@H](CC)CO
InChIInChI=1S/C9H21NO/c1-3-5-6-7-10-9(4-2)8-11/h9-11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyCNKWSYRBGRFWAL-VIFPVBQESA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds7

About (2S)-2-(pentylamino)butan-1-ol

(2S)-2-(pentylamino)butan-1-ol (PubChem CID 28724748) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-2-(pentylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(pentylamino)butan-1-ol
PubChem CID28724748
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-2-(pentylamino)butan-1-ol
SMILESCCCCCN[C@@H](CC)CO
InChIInChI=1S/C9H21NO/c1-3-5-6-7-10-9(4-2)8-11/h9-11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyCNKWSYRBGRFWAL-VIFPVBQESA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
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

2-(decylamino)butan-1-ol
CID 60668820
2-(hexylamino)pentan-1-ol
CID 155661034
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
N-pentylheptan-3-amine
CID 63944300
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
N-tridecylpentadecan-3-amine
CID 88820168
N-hexan-3-ylhexan-1-amine
CID 62117591
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
CID 126512717
N-(1-chlorobutan-2-yl)decan-1-amine
CID 65026505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pentylamino)butan-1-ol?
The IUPAC name of (2S)-2-(pentylamino)butan-1-ol (CID 28724748) is (2S)-2-(pentylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(pentylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(pentylamino)butan-1-ol is CCCCCN[C@@H](CC)CO.
What is the InChIKey of (2S)-2-(pentylamino)butan-1-ol?
The InChIKey is CNKWSYRBGRFWAL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO/c1-3-5-6-7-10-9(4-2)8-11/h9-11H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(pentylamino)butan-1-ol?
(2S)-2-(pentylamino)butan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pentylamino)butan-1-ol is sourced from PubChem (CID 28724748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).