5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol

C12H25NO — CID 115722950

IUPAC5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol
SMILESCCC(NCC(C)CC(C)O)C1CC1
InChIInChI=1S/C12H25NO/c1-4-12(11-5-6-11)13-8-9(2)7-10(3)14/h9-14H,4-8H2,1-3H3
InChIKeyPUOPJEMWMQWADG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds7

About 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol

5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol (PubChem CID 115722950) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol
PubChem CID115722950
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol
SMILESCCC(NCC(C)CC(C)O)C1CC1
InChIInChI=1S/C12H25NO/c1-4-12(11-5-6-11)13-8-9(2)7-10(3)14/h9-14H,4-8H2,1-3H3
InChIKeyPUOPJEMWMQWADG-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol
CID 115726083
N-(1-cyclopropylpropyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 64918005
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
(2R)-1-(dicyclopropylmethylamino)propan-2-ol
CID 93082129
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-(1-cyclopropylpropyl)hydroxylamine
CID 82686074
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 115770001
N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709211
4-methyl-5-[1-(1-methylcyclopropyl)ethylamino]pentan-2-ol
CID 115722943
N-(1-cyclopropylpropyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 64919676

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol?
The IUPAC name of 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol (CID 115722950) is 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol?
The canonical SMILES for 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol is CCC(NCC(C)CC(C)O)C1CC1.
What is the InChIKey of 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol?
The InChIKey is PUOPJEMWMQWADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(11-5-6-11)13-8-9(2)7-10(3)14/h9-14H,4-8H2,1-3H3.
What are the key properties of 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol?
5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 115722950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).