2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol

C14H25N3O — CID 64810100

IUPAC2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
SMILESCCc1nccn1C(C)CC(C)(CO)NC1CC1
InChIInChI=1S/C14H25N3O/c1-4-13-15-7-8-17(13)11(2)9-14(3,10-18)16-12-5-6-12/h7-8,11-12,16,18H,4-6,9-10H2,1-3H3
InChIKeyQZDVRUITWLUIKY-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol

2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol (PubChem CID 64810100) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
PubChem CID64810100
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
SMILESCCc1nccn1C(C)CC(C)(CO)NC1CC1
InChIInChI=1S/C14H25N3O/c1-4-13-15-7-8-17(13)11(2)9-14(3,10-18)16-12-5-6-12/h7-8,11-12,16,18H,4-6,9-10H2,1-3H3
InChIKeyQZDVRUITWLUIKY-UHFFFAOYSA-N
XLogP1.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
CID 64727747
2-(cyclopropylamino)-5-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64809678
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64727550
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
CID 62442957
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
4-(2-ethylimidazol-1-yl)pentan-1-amine
CID 62442760
2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64820426
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566090
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
CID 64802459

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol (CID 64810100) is 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol is CCc1nccn1C(C)CC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol?
The InChIKey is QZDVRUITWLUIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-13-15-7-8-17(13)11(2)9-14(3,10-18)16-12-5-6-12/h7-8,11-12,16,18H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol?
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 64810100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).