(2S)-4-(butan-2-ylamino)butan-2-ol

C8H19NO — CID 130638354

IUPAC(2S)-4-(butan-2-ylamino)butan-2-ol
SMILESCCC(C)NCC[C@H](C)O
InChIInChI=1S/C8H19NO/c1-4-7(2)9-6-5-8(3)10/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyNCXYACRMQDLWMX-MQWKRIRWSA-N
MW145.25 g/mol
LogP1.15
Rot. Bonds5

About (2S)-4-(butan-2-ylamino)butan-2-ol

(2S)-4-(butan-2-ylamino)butan-2-ol (PubChem CID 130638354) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-4-(butan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(butan-2-ylamino)butan-2-ol
PubChem CID130638354
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-4-(butan-2-ylamino)butan-2-ol
SMILESCCC(C)NCC[C@H](C)O
InChIInChI=1S/C8H19NO/c1-4-7(2)9-6-5-8(3)10/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyNCXYACRMQDLWMX-MQWKRIRWSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
CID 59085020
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
5-(butan-2-ylamino)-3-methylpentan-2-one
CID 118155118
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
N-butan-2-yl-3,5,5-trimethylhexan-1-amine
CID 61023088
4-(undecan-6-ylamino)butan-2-ol
CID 64927734
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
1-(butan-2-ylamino)pentan-2-ol
CID 21435603

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(butan-2-ylamino)butan-2-ol?
The IUPAC name of (2S)-4-(butan-2-ylamino)butan-2-ol (CID 130638354) is (2S)-4-(butan-2-ylamino)butan-2-ol.
What is the SMILES notation for (2S)-4-(butan-2-ylamino)butan-2-ol?
The canonical SMILES for (2S)-4-(butan-2-ylamino)butan-2-ol is CCC(C)NCC[C@H](C)O.
What is the InChIKey of (2S)-4-(butan-2-ylamino)butan-2-ol?
The InChIKey is NCXYACRMQDLWMX-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(2)9-6-5-8(3)10/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (2S)-4-(butan-2-ylamino)butan-2-ol?
(2S)-4-(butan-2-ylamino)butan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(butan-2-ylamino)butan-2-ol is sourced from PubChem (CID 130638354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).