3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine

C9H18N4 — CID 117188748

IUPAC3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine
SMILESCCn1c(N)cnc1CNC(C)C
InChIInChI=1S/C9H18N4/c1-4-13-8(10)5-12-9(13)6-11-7(2)3/h5,7,11H,4,6,10H2,1-3H3
InChIKeyATGPRRGTZLYCSY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.98
Rot. Bonds4

About 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine

3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine (PubChem CID 117188748) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine
PubChem CID117188748
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine
SMILESCCn1c(N)cnc1CNC(C)C
InChIInChI=1S/C9H18N4/c1-4-13-8(10)5-12-9(13)6-11-7(2)3/h5,7,11H,4,6,10H2,1-3H3
InChIKeyATGPRRGTZLYCSY-UHFFFAOYSA-N
XLogP0.98
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[(propan-2-ylamino)methyl]imidazole-4-carboxylic acid
CID 117188784
(5-amino-1-ethylimidazol-2-yl)methanethiol
CID 117188798
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine
CID 117188547
2-N-cyclopentyl-3-ethylimidazole-2,4-diamine
CID 117190557
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
3-ethyl-2-piperidin-1-ylimidazol-4-amine
CID 117190590
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
N-[(1,5-diethylpyrrol-2-yl)methyl]propan-2-amine
CID 100792255
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
N-(1,2,5-thiadiazol-3-ylmethyl)propan-2-amine
CID 79501922
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
CID 117173982

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine?
The IUPAC name of 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine (CID 117188748) is 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine is CCn1c(N)cnc1CNC(C)C.
What is the InChIKey of 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine?
The InChIKey is ATGPRRGTZLYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-13-8(10)5-12-9(13)6-11-7(2)3/h5,7,11H,4,6,10H2,1-3H3.
What are the key properties of 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine?
3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine has a molecular weight of 182.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(propan-2-ylamino)methyl]imidazol-4-amine is sourced from PubChem (CID 117188748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).