3-methyl-1-(pentan-3-ylamino)butan-2-ol

C10H23NO — CID 115720488

IUPAC3-methyl-1-(pentan-3-ylamino)butan-2-ol
SMILESCCC(CC)NCC(O)C(C)C
InChIInChI=1S/C10H23NO/c1-5-9(6-2)11-7-10(12)8(3)4/h8-12H,5-7H2,1-4H3
InChIKeyGEIMOGNDXDDMTP-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds6

About 3-methyl-1-(pentan-3-ylamino)butan-2-ol

3-methyl-1-(pentan-3-ylamino)butan-2-ol (PubChem CID 115720488) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-methyl-1-(pentan-3-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(pentan-3-ylamino)butan-2-ol
PubChem CID115720488
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-methyl-1-(pentan-3-ylamino)butan-2-ol
SMILESCCC(CC)NCC(O)C(C)C
InChIInChI=1S/C10H23NO/c1-5-9(6-2)11-7-10(12)8(3)4/h8-12H,5-7H2,1-4H3
InChIKeyGEIMOGNDXDDMTP-UHFFFAOYSA-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

3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
1-(iodoamino)-3-methylbutan-2-ol
CID 88639475
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
CID 62579088
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
1-(pentan-3-ylamino)ethanol
CID 18004281
(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol
CID 159288643
4-methyl-1-(5-methylheptan-3-ylamino)pentan-2-ol
CID 115714800

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pentan-3-ylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(pentan-3-ylamino)butan-2-ol (CID 115720488) is 3-methyl-1-(pentan-3-ylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(pentan-3-ylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(pentan-3-ylamino)butan-2-ol is CCC(CC)NCC(O)C(C)C.
What is the InChIKey of 3-methyl-1-(pentan-3-ylamino)butan-2-ol?
The InChIKey is GEIMOGNDXDDMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(6-2)11-7-10(12)8(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(pentan-3-ylamino)butan-2-ol?
3-methyl-1-(pentan-3-ylamino)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 3-methyl-1-(pentan-3-ylamino)butan-2-ol is sourced from PubChem (CID 115720488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).