4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine

C16H30N4 — CID 114530442

IUPAC4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine
SMILESCCC(CC)(C(N)CCc1nccn1C)N1CCCC1
InChIInChI=1S/C16H30N4/c1-4-16(5-2,20-11-6-7-12-20)14(17)8-9-15-18-10-13-19(15)3/h10,13-14H,4-9,11-12,17H2,1-3H3
InChIKeyVQHREAOHZIGBMZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.33
Rot. Bonds7

About 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine

4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine (PubChem CID 114530442) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine
PubChem CID114530442
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine
SMILESCCC(CC)(C(N)CCc1nccn1C)N1CCCC1
InChIInChI=1S/C16H30N4/c1-4-16(5-2,20-11-6-7-12-20)14(17)8-9-15-18-10-13-19(15)3/h10,13-14H,4-9,11-12,17H2,1-3H3
InChIKeyVQHREAOHZIGBMZ-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
CID 114530433
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 114530416
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
[4-methyl-1-(1-methylimidazol-2-yl)-4-morpholin-4-ylhexan-3-yl]hydrazine
CID 105241557
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine?
The IUPAC name of 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine (CID 114530442) is 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine.
What is the SMILES notation for 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine?
The canonical SMILES for 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine is CCC(CC)(C(N)CCc1nccn1C)N1CCCC1.
What is the InChIKey of 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine?
The InChIKey is VQHREAOHZIGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-16(5-2,20-11-6-7-12-20)14(17)8-9-15-18-10-13-19(15)3/h10,13-14H,4-9,11-12,17H2,1-3H3.
What are the key properties of 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine?
4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine is sourced from PubChem (CID 114530442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).