N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C14H26N4 — CID 62351902

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCCn1ccnc1CNCC1CCN(C(C)C)C1
InChIInChI=1S/C14H26N4/c1-4-17-8-6-16-14(17)10-15-9-13-5-7-18(11-13)12(2)3/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3
InChIKeyGLPYYBDOPJFQBW-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 62351902) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID62351902
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCCn1ccnc1CNCC1CCN(C(C)C)C1
InChIInChI=1S/C14H26N4/c1-4-17-8-6-16-14(17)10-15-9-13-5-7-18(11-13)12(2)3/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3
InChIKeyGLPYYBDOPJFQBW-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61206615
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 61208707
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 61208893
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol
CID 116686346

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 62351902) is N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CCn1ccnc1CNCC1CCN(C(C)C)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is GLPYYBDOPJFQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-17-8-6-16-14(17)10-15-9-13-5-7-18(11-13)12(2)3/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62351902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).