N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine

C13H25N3 — CID 114532985

IUPACN-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
SMILESCCNCC(C)C(C)CCc1nccn1C
InChIInChI=1S/C13H25N3/c1-5-14-10-12(3)11(2)6-7-13-15-8-9-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyPDXDRNVPHNYMAT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.23
Rot. Bonds7

About N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine

N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine (PubChem CID 114532985) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
PubChem CID114532985
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
SMILESCCNCC(C)C(C)CCc1nccn1C
InChIInChI=1S/C13H25N3/c1-5-14-10-12(3)11(2)6-7-13-15-8-9-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyPDXDRNVPHNYMAT-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
CID 114222061
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
CID 114532954
azane;1-methyl-2-propylimidazole
CID 174525892
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine (CID 114532985) is N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine is CCNCC(C)C(C)CCc1nccn1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine?
The InChIKey is PDXDRNVPHNYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-14-10-12(3)11(2)6-7-13-15-8-9-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine?
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 114532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).