2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine

C15H28N4 — CID 63013410

IUPAC2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
SMILESCCNC1CCCCCC1N(C)Cc1nccn1C
InChIInChI=1S/C15H28N4/c1-4-16-13-8-6-5-7-9-14(13)19(3)12-15-17-10-11-18(15)2/h10-11,13-14,16H,4-9,12H2,1-3H3
InChIKeyJXYAOYYYCGQISS-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.16
Rot. Bonds5

About 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine

2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine (PubChem CID 63013410) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
PubChem CID63013410
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
SMILESCCNC1CCCCCC1N(C)Cc1nccn1C
InChIInChI=1S/C15H28N4/c1-4-16-13-8-6-5-7-9-14(13)19(3)12-15-17-10-11-18(15)2/h10-11,13-14,16H,4-9,12H2,1-3H3
InChIKeyJXYAOYYYCGQISS-UHFFFAOYSA-N
XLogP2.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639172
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine (CID 63013410) is 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine is CCNC1CCCCCC1N(C)Cc1nccn1C.
What is the InChIKey of 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine?
The InChIKey is JXYAOYYYCGQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-16-13-8-6-5-7-9-14(13)19(3)12-15-17-10-11-18(15)2/h10-11,13-14,16H,4-9,12H2,1-3H3.
What are the key properties of 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine?
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine is sourced from PubChem (CID 63013410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).