3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol

C10H20N2O — CID 106175286

IUPAC3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC1=NCCC1
InChIInChI=1S/C10H20N2O/c1-3-10(2,6-8-13)12-9-5-4-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyMMTDHKOHOAJCIH-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.32
Rot. Bonds4

About 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol

3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol (PubChem CID 106175286) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol
PubChem CID106175286
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC1=NCCC1
InChIInChI=1S/C10H20N2O/c1-3-10(2,6-8-13)12-9-5-4-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyMMTDHKOHOAJCIH-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-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

2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-1-ol
CID 79503528
2-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79503529
2-Methyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79503620
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-1-ol
CID 79507694
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-ethylbutan-1-ol
CID 79507948
2-ethyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79507949
2-Ethyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79508054
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-1-ol
CID 80289931
2-methyl-2-[(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)amino]propan-1-ol
CID 101986354
3-Methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
CID 106175334
3-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pentan-1-ol
CID 106175377
2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol
CID 106256051

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol (CID 106175286) is 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NC1=NCCC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol?
The InChIKey is MMTDHKOHOAJCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-10(2,6-8-13)12-9-5-4-7-11-9/h13H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol?
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106175286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).