(3S)-3-(butan-2-ylamino)butan-1-ol

C8H19NO — CID 131065371

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

About (3S)-3-(butan-2-ylamino)butan-1-ol

(3S)-3-(butan-2-ylamino)butan-1-ol (PubChem CID 131065371) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3S)-3-(butan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-(butan-2-ylamino)butan-1-ol
PubChem CID131065371
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3S)-3-(butan-2-ylamino)butan-1-ol
SMILESCCC(C)N[C@@H](C)CCO
InChIInChI=1S/C8H19NO/c1-4-7(2)9-8(3)5-6-10/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyAVZGMGIVAZKDRZ-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

1-Butanol, 4-(butylamino)-
CID 20669
3-(Ethylamino)propanol
CID 10176104
1,2-Propanediamine, N-(3-hydroxypropyl)-
CID 112017
2-(Methylamino)-1-butanol
CID 119693
1-Propanol, 3-(propylamino)-
CID 186621
4-(Isopropylamino)butanol
CID 12950986
3-(Cyclopropylamino)propan-1-ol
CID 54547218
3-(Methylamino)butan-1-ol
CID 12636118
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
2-(Ethylamino)butan-1-ol
CID 469952
3-[2-(4-Hydroxybutan-2-ylamino)ethylamino]butan-1-ol
CID 469990
2-[2-(Sec-butylamino)ethylamino]butan-1-ol
CID 470075

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(butan-2-ylamino)butan-1-ol?
The IUPAC name of (3S)-3-(butan-2-ylamino)butan-1-ol (CID 131065371) is (3S)-3-(butan-2-ylamino)butan-1-ol.
What is the SMILES notation for (3S)-3-(butan-2-ylamino)butan-1-ol?
The canonical SMILES for (3S)-3-(butan-2-ylamino)butan-1-ol is CCC(C)N[C@@H](C)CCO.
What is the InChIKey of (3S)-3-(butan-2-ylamino)butan-1-ol?
The InChIKey is AVZGMGIVAZKDRZ-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(2)9-8(3)5-6-10/h7-10H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (3S)-3-(butan-2-ylamino)butan-1-ol?
(3S)-3-(butan-2-ylamino)butan-1-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 (3S)-3-(butan-2-ylamino)butan-1-ol is sourced from PubChem (CID 131065371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).