N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine

C14H26N4 — CID 66131370

IUPACN-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCCn1cncc1C1C(CNCC)CCN1C
InChIInChI=1S/C14H26N4/c1-4-7-18-11-16-10-13(18)14-12(9-15-5-2)6-8-17(14)3/h10-12,14-15H,4-9H2,1-3H3
InChIKeyMJIDJJHLUANEPS-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds6

About N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 66131370) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID66131370
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCCn1cncc1C1C(CNCC)CCN1C
InChIInChI=1S/C14H26N4/c1-4-7-18-11-16-10-13(18)14-12(9-15-5-2)6-8-17(14)3/h10-12,14-15H,4-9H2,1-3H3
InChIKeyMJIDJJHLUANEPS-UHFFFAOYSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 66131370) is N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine is CCCn1cncc1C1C(CNCC)CCN1C.
What is the InChIKey of N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is MJIDJJHLUANEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-18-11-16-10-13(18)14-12(9-15-5-2)6-8-17(14)3/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66131370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).