4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol

C10H23NO — CID 59085020

IUPAC4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
SMILESCC(C)C[C@@H](C)NCCC(C)O
InChIInChI=1S/C10H23NO/c1-8(2)7-9(3)11-6-5-10(4)12/h8-12H,5-7H2,1-4H3/t9-,10?/m1/s1
InChIKeyKMOOIKQKJLIZDU-YHMJZVADSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds6

About 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol

4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol (PubChem CID 59085020) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
PubChem CID59085020
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
SMILESCC(C)C[C@@H](C)NCCC(C)O
InChIInChI=1S/C10H23NO/c1-8(2)7-9(3)11-6-5-10(4)12/h8-12H,5-7H2,1-4H3/t9-,10?/m1/s1
InChIKeyKMOOIKQKJLIZDU-YHMJZVADSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine
CID 59084965
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
4-hydroxy-N-(4-methylpentan-2-yl)pentanamide
CID 79204272
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
The IUPAC name of 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol (CID 59085020) is 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol is CC(C)C[C@@H](C)NCCC(C)O.
What is the InChIKey of 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
The InChIKey is KMOOIKQKJLIZDU-YHMJZVADSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)7-9(3)11-6-5-10(4)12/h8-12H,5-7H2,1-4H3/t9-,10?/m1/s1.
What are the key properties of 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol?
4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol is sourced from PubChem (CID 59085020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).