1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine

C13H24N4 — CID 79859996

IUPAC1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
SMILESCN(Cc1nccn1C)C1CCC(C)(C)C1N
InChIInChI=1S/C13H24N4/c1-13(2)6-5-10(12(13)14)17(4)9-11-15-7-8-16(11)3/h7-8,10,12H,5-6,9,14H2,1-4H3
InChIKeyYIIAJOORFLWELB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.37
Rot. Bonds3

About 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine

1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine (PubChem CID 79859996) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
PubChem CID79859996
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
SMILESCN(Cc1nccn1C)C1CCC(C)(C)C1N
InChIInChI=1S/C13H24N4/c1-13(2)6-5-10(12(13)14)17(4)9-11-15-7-8-16(11)3/h7-8,10,12H,5-6,9,14H2,1-4H3
InChIKeyYIIAJOORFLWELB-UHFFFAOYSA-N
XLogP1.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.37
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
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
6-(cyclopropylmethoxy)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63014269
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169
(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
CID 110146419
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine (CID 79859996) is 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine is CN(Cc1nccn1C)C1CCC(C)(C)C1N.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine?
The InChIKey is YIIAJOORFLWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2)6-5-10(12(13)14)17(4)9-11-15-7-8-16(11)3/h7-8,10,12H,5-6,9,14H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine?
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 79859996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).