3-(dicyclopropylmethylamino)-2-methylbutan-1-ol

C12H23NO — CID 115722745

IUPAC3-(dicyclopropylmethylamino)-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC(C1CC1)C1CC1
InChIInChI=1S/C12H23NO/c1-8(7-14)9(2)13-12(10-3-4-10)11-5-6-11/h8-14H,3-7H2,1-2H3
InChIKeyHPNFBKWSERWOJS-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.78
Rot. Bonds6

About 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol

3-(dicyclopropylmethylamino)-2-methylbutan-1-ol (PubChem CID 115722745) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)-2-methylbutan-1-ol
PubChem CID115722745
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(dicyclopropylmethylamino)-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC(C1CC1)C1CC1
InChIInChI=1S/C12H23NO/c1-8(7-14)9(2)13-12(10-3-4-10)11-5-6-11/h8-14H,3-7H2,1-2H3
InChIKeyHPNFBKWSERWOJS-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(dicyclopropylmethyl)propane-1,2-diamine
CID 103387479
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
3-cyclopropyl-3-(3-methylpentan-2-ylamino)propan-1-ol
CID 115891712
3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
CID 104530280
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
CID 115689458
2-(cyclopropylamino)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide;hydrochloride
CID 110012022
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
2-N-(dicyclopropylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946340
2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol
CID 115724193

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol?
The IUPAC name of 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol (CID 115722745) is 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol is CC(CO)C(C)NC(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol?
The InChIKey is HPNFBKWSERWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(7-14)9(2)13-12(10-3-4-10)11-5-6-11/h8-14H,3-7H2,1-2H3.
What are the key properties of 3-(dicyclopropylmethylamino)-2-methylbutan-1-ol?
3-(dicyclopropylmethylamino)-2-methylbutan-1-ol has a molecular weight of 197.32 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-(dicyclopropylmethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 115722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).