N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine

C13H24N4 — CID 124682664

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CC[C@@H](CNCc2cncn2C)C1
InChIInChI=1S/C13H24N4/c1-3-5-17-6-4-12(10-17)7-14-8-13-9-15-11-16(13)2/h9,11-12,14H,3-8,10H2,1-2H3/t12-/m0/s1
InChIKeyHLFGNPGVHICWKJ-LBPRGKRZSA-N
MW236.36 g/mol
LogP1.24
Rot. Bonds6

About N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine

N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine (PubChem CID 124682664) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
PubChem CID124682664
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CC[C@@H](CNCc2cncn2C)C1
InChIInChI=1S/C13H24N4/c1-3-5-17-6-4-12(10-17)7-14-8-13-9-15-11-16(13)2/h9,11-12,14H,3-8,10H2,1-2H3/t12-/m0/s1
InChIKeyHLFGNPGVHICWKJ-LBPRGKRZSA-N
XLogP1.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine (CID 124682664) is N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine is CCCN1CC[C@@H](CNCc2cncn2C)C1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine?
The InChIKey is HLFGNPGVHICWKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-5-17-6-4-12(10-17)7-14-8-13-9-15-11-16(13)2/h9,11-12,14H,3-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 124682664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).