N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine

C12H22N4 — CID 115607122

IUPACN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CNCc1cnc[nH]1)N1CCCC1
InChIInChI=1S/C12H22N4/c1-2-12(16-5-3-4-6-16)9-13-7-11-8-14-10-15-11/h8,10,12-13H,2-7,9H2,1H3,(H,14,15)
InChIKeySDHBIOLSABREPX-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.37
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 115607122) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID115607122
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CNCc1cnc[nH]1)N1CCCC1
InChIInChI=1S/C12H22N4/c1-2-12(16-5-3-4-6-16)9-13-7-11-8-14-10-15-11/h8,10,12-13H,2-7,9H2,1H3,(H,14,15)
InChIKeySDHBIOLSABREPX-UHFFFAOYSA-N
XLogP1.37
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62993213
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CID 62761952
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
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N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
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N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63001032
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724271
N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62763210
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 115607122) is N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(CNCc1cnc[nH]1)N1CCCC1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is SDHBIOLSABREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-12(16-5-3-4-6-16)9-13-7-11-8-14-10-15-11/h8,10,12-13H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 115607122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).