1-(cyclopropylmethyl)-5-methylimidazol-4-amine

C8H13N3 — CID 118309548

IUPAC1-(cyclopropylmethyl)-5-methylimidazol-4-amine
SMILESCc1c(N)ncn1CC1CC1
InChIInChI=1S/C8H13N3/c1-6-8(9)10-5-11(6)4-7-2-3-7/h5,7H,2-4,9H2,1H3
InChIKeyQYGWBBJIIOWOQC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds2

About 1-(cyclopropylmethyl)-5-methylimidazol-4-amine

1-(cyclopropylmethyl)-5-methylimidazol-4-amine (PubChem CID 118309548) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methylimidazol-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methylimidazol-4-amine
PubChem CID118309548
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(cyclopropylmethyl)-5-methylimidazol-4-amine
SMILESCc1c(N)ncn1CC1CC1
InChIInChI=1S/C8H13N3/c1-6-8(9)10-5-11(6)4-7-2-3-7/h5,7H,2-4,9H2,1H3
InChIKeyQYGWBBJIIOWOQC-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methylimidazol-4-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-methylimidazol-4-amine (CID 118309548) is 1-(cyclopropylmethyl)-5-methylimidazol-4-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methylimidazol-4-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methylimidazol-4-amine is Cc1c(N)ncn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methylimidazol-4-amine?
The InChIKey is QYGWBBJIIOWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-8(9)10-5-11(6)4-7-2-3-7/h5,7H,2-4,9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-methylimidazol-4-amine?
1-(cyclopropylmethyl)-5-methylimidazol-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methylimidazol-4-amine is sourced from PubChem (CID 118309548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).