(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol

C10H23NO — CID 103871778

IUPAC(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol
SMILESCC(N[C@H](C)CCO)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(6-7-12)11-9(2)10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t8-,9?/m1/s1
InChIKeyIMTGGJZVYSPGLG-VEDVMXKPSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds4

About (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol

(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol (PubChem CID 103871778) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol
PubChem CID103871778
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol
SMILESCC(N[C@H](C)CCO)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(6-7-12)11-9(2)10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t8-,9?/m1/s1
InChIKeyIMTGGJZVYSPGLG-VEDVMXKPSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
N'-hydroxy-2-(4-hydroxybutan-2-ylamino)propanimidamide
CID 83176383
2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol
CID 65332732
2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
(3R)-3-(1-cyclopropylethylamino)butan-1-ol
CID 103871785
(3R)-3-(phosphanylamino)butan-1-ol
CID 90206966
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
CID 103871740
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol (CID 103871778) is (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol is CC(N[C@H](C)CCO)C(C)(C)C.
What is the InChIKey of (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol?
The InChIKey is IMTGGJZVYSPGLG-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(6-7-12)11-9(2)10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t8-,9?/m1/s1.
What are the key properties of (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol?
(3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,3-dimethylbutan-2-ylamino)butan-1-ol is sourced from PubChem (CID 103871778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).