2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol

C13H23N3O — CID 106506866

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol
SMILESCn1ccnc1CCC(CN)(CO)CC1CC1
InChIInChI=1S/C13H23N3O/c1-16-7-6-15-12(16)4-5-13(9-14,10-17)8-11-2-3-11/h6-7,11,17H,2-5,8-10,14H2,1H3
InChIKeyNMISPOLUUBXGCG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.09
Rot. Bonds7

About 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol (PubChem CID 106506866) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol
PubChem CID106506866
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol
SMILESCn1ccnc1CCC(CN)(CO)CC1CC1
InChIInChI=1S/C13H23N3O/c1-16-7-6-15-12(16)4-5-13(9-14,10-17)8-11-2-3-11/h6-7,11,17H,2-5,8-10,14H2,1H3
InChIKeyNMISPOLUUBXGCG-UHFFFAOYSA-N
XLogP1.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol
CID 102641813
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol (CID 106506866) is 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol is Cn1ccnc1CCC(CN)(CO)CC1CC1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol?
The InChIKey is NMISPOLUUBXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-7-6-15-12(16)4-5-13(9-14,10-17)8-11-2-3-11/h6-7,11,17H,2-5,8-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 106506866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).