6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine

C12H22ClN3 — CID 63026955

IUPAC6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
SMILESCN(CCCCCCCl)Cc1nccn1C
InChIInChI=1S/C12H22ClN3/c1-15(9-6-4-3-5-7-13)11-12-14-8-10-16(12)2/h8,10H,3-7,9,11H2,1-2H3
InChIKeyHARWRMCKPDIUHD-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.65
Rot. Bonds8

About 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine

6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine (PubChem CID 63026955) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
PubChem CID63026955
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
SMILESCN(CCCCCCCl)Cc1nccn1C
InChIInChI=1S/C12H22ClN3/c1-15(9-6-4-3-5-7-13)11-12-14-8-10-16(12)2/h8,10H,3-7,9,11H2,1-2H3
InChIKeyHARWRMCKPDIUHD-UHFFFAOYSA-N
XLogP2.65
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine (CID 63026955) is 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine is CN(CCCCCCCl)Cc1nccn1C.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine?
The InChIKey is HARWRMCKPDIUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-15(9-6-4-3-5-7-13)11-12-14-8-10-16(12)2/h8,10H,3-7,9,11H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine?
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 63026955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).