N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine

C15H28N4 — CID 66161976

IUPACN-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C)C1c1cncn1C(C)C
InChIInChI=1S/C15H28N4/c1-5-7-16-9-13-6-8-18(4)15(13)14-10-17-11-19(14)12(2)3/h10-13,15-16H,5-9H2,1-4H3
InChIKeySFMWEPPLQGLOED-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.46
Rot. Bonds6

About N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 66161976) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID66161976
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C)C1c1cncn1C(C)C
InChIInChI=1S/C15H28N4/c1-5-7-16-9-13-6-8-18(4)15(13)14-10-17-11-19(14)12(2)3/h10-13,15-16H,5-9H2,1-4H3
InChIKeySFMWEPPLQGLOED-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 66161976) is N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(C)C1c1cncn1C(C)C.
What is the InChIKey of N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is SFMWEPPLQGLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-7-16-9-13-6-8-18(4)15(13)14-10-17-11-19(14)12(2)3/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.46, 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-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66161976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).