N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine

C15H28N4 — CID 50979891

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
SMILESCc1[nH]cnc1CN(C)CC1CCN(CC(C)C)C1
InChIInChI=1S/C15H28N4/c1-12(2)7-19-6-5-14(9-19)8-18(4)10-15-13(3)16-11-17-15/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyIHFRLHBYDYHGCC-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.13
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine (PubChem CID 50979891) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
PubChem CID50979891
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
SMILESCc1[nH]cnc1CN(C)CC1CCN(CC(C)C)C1
InChIInChI=1S/C15H28N4/c1-12(2)7-19-6-5-14(9-19)8-18(4)10-15-13(3)16-11-17-15/h11-12,14H,5-10H2,1-4H3,(H,16,17)
InChIKeyIHFRLHBYDYHGCC-UHFFFAOYSA-N
XLogP2.13
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine (CID 50979891) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine is Cc1[nH]cnc1CN(C)CC1CCN(CC(C)C)C1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is IHFRLHBYDYHGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)7-19-6-5-14(9-19)8-18(4)10-15-13(3)16-11-17-15/h11-12,14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 50979891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).