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

C10H19N3 — CID 43088152

IUPACN-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1nccn1C
InChIInChI=1S/C10H19N3/c1-4-9(5-2)12-8-10-11-6-7-13(10)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyIFVUNJXMSKNMRQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine (PubChem CID 43088152) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
PubChem CID43088152
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1nccn1C
InChIInChI=1S/C10H19N3/c1-4-9(5-2)12-8-10-11-6-7-13(10)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyIFVUNJXMSKNMRQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
CID 63292288
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711534
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 63001649
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine (CID 43088152) is N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine is CCC(CC)NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
The InChIKey is IFVUNJXMSKNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-9(5-2)12-8-10-11-6-7-13(10)3/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 43088152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).