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

C12H22ClN3 — CID 106167285

IUPAC1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
SMILESCCC(C)(CCCl)NCCc1nccn1C
InChIInChI=1S/C12H22ClN3/c1-4-12(2,6-7-13)15-8-5-11-14-9-10-16(11)3/h9-10,15H,4-8H2,1-3H3
InChIKeyGKCOWDMZIPYQGH-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.35
Rot. Bonds7

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

1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine (PubChem CID 106167285) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
PubChem CID106167285
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
SMILESCCC(C)(CCCl)NCCc1nccn1C
InChIInChI=1S/C12H22ClN3/c1-4-12(2,6-7-13)15-8-5-11-14-9-10-16(11)3/h9-10,15H,4-8H2,1-3H3
InChIKeyGKCOWDMZIPYQGH-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
The IUPAC name of 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine (CID 106167285) is 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
The canonical SMILES for 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine is CCC(C)(CCCl)NCCc1nccn1C.
What is the InChIKey of 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
The InChIKey is GKCOWDMZIPYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-4-12(2,6-7-13)15-8-5-11-14-9-10-16(11)3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine has a molecular weight of 243.78 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 106167285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).