N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C15H28N4 — CID 62511796

IUPACN-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(C(C)Cn2ccnc2)C1
InChIInChI=1S/C15H28N4/c1-13(2)8-17-9-15-4-6-19(11-15)14(3)10-18-7-5-16-12-18/h5,7,12-15,17H,4,6,8-11H2,1-3H3
InChIKeyOIYQPVHXCBDVFB-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.84
Rot. Bonds7

About N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62511796) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62511796
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(C(C)Cn2ccnc2)C1
InChIInChI=1S/C15H28N4/c1-13(2)8-17-9-15-4-6-19(11-15)14(3)10-18-7-5-16-12-18/h5,7,12-15,17H,4,6,8-11H2,1-3H3
InChIKeyOIYQPVHXCBDVFB-UHFFFAOYSA-N
XLogP1.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680
N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849479
N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62512276
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659083
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511464
2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512074
8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739170
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62593018
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848440
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62511796) is N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(C(C)Cn2ccnc2)C1.
What is the InChIKey of N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OIYQPVHXCBDVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)8-17-9-15-4-6-19(11-15)14(3)10-18-7-5-16-12-18/h5,7,12-15,17H,4,6,8-11H2,1-3H3.
What are the key properties of N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62511796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).