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

C10H20N2O — CID 107152437

IUPAC1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC1=NCCC1
InChIInChI=1S/C10H20N2O/c1-8(2)6-9(13)7-12-10-4-3-5-11-10/h8-9,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyFACSYFOEIDGSBN-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.18
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol (PubChem CID 107152437) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol
PubChem CID107152437
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC1=NCCC1
InChIInChI=1S/C10H20N2O/c1-8(2)6-9(13)7-12-10-4-3-5-11-10/h8-9,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyFACSYFOEIDGSBN-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol
CID 67717067
4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol
CID 138488014
3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol
CID 138488020
N-[(2R)-3-hydroxy-2-methylbutyl]-N'-methylethanimidamide
CID 139313891
2-[4-(5-Methyl-2-propan-2-yl-1,4-dihydroimidazol-5-yl)butan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
CID 139430226
1-(1,5-Dihydroimidazol-3-ium-5-yl)-3-methylbutan-1-ol
CID 163730337
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
CID 79503826
3-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79503920
3-Methyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79503921
(2S)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
CID 79504008
(2S)-3-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79504009
1-cyclopropyl-2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanol
CID 79504079

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol (CID 107152437) is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol is CC(C)CC(O)CNC1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol?
The InChIKey is FACSYFOEIDGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)6-9(13)7-12-10-4-3-5-11-10/h8-9,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol?
1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 107152437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).