4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol

C11H23NO — CID 115725095

IUPAC4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)CC1CC1
InChIInChI=1S/C11H23NO/c1-9(5-6-13)8-12-10(2)7-11-3-4-11/h9-13H,3-8H2,1-2H3
InChIKeyPDNNDKOWMVOVMD-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds7

About 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol

4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol (PubChem CID 115725095) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol
PubChem CID115725095
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)CC1CC1
InChIInChI=1S/C11H23NO/c1-9(5-6-13)8-12-10(2)7-11-3-4-11/h9-13H,3-8H2,1-2H3
InChIKeyPDNNDKOWMVOVMD-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107
4-(1-cyclopropylethylamino)-3-methylbutan-1-ol
CID 66089907
N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719687
1-cyclopropyl-N-(2,2-dicyclopropylethyl)propan-2-amine
CID 115724974
1-cyclopropyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63989699
1-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717048
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
CID 66092706
3-(1-cyclobutylpropan-2-ylamino)butan-1-ol
CID 115722186
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol (CID 115725095) is 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol is CC(CCO)CNC(C)CC1CC1.
What is the InChIKey of 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is PDNNDKOWMVOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(5-6-13)8-12-10(2)7-11-3-4-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol?
4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 115725095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).