N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine

C14H20N4 — CID 130198321

IUPACN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
SMILESCCC(C)NCc1cccnc1-n1ccnc1C
InChIInChI=1S/C14H20N4/c1-4-11(2)17-10-13-6-5-7-16-14(13)18-9-8-15-12(18)3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyROZVRAYTXGRXOH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.46
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine (PubChem CID 130198321) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
PubChem CID130198321
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
SMILESCCC(C)NCc1cccnc1-n1ccnc1C
InChIInChI=1S/C14H20N4/c1-4-11(2)17-10-13-6-5-7-16-14(13)18-9-8-15-12(18)3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyROZVRAYTXGRXOH-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 60565665
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid
CID 166364426
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230096
(2R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230097
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide
CID 64584172
N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine
CID 106777129
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine (CID 130198321) is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine is CCC(C)NCc1cccnc1-n1ccnc1C.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine?
The InChIKey is ROZVRAYTXGRXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-11(2)17-10-13-6-5-7-16-14(13)18-9-8-15-12(18)3/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine?
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine is sourced from PubChem (CID 130198321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).