N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine

C12H23N5 — CID 115682190

IUPACN,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNCc2cnnn2C)CCCC1
InChIInChI=1S/C12H23N5/c1-16(2)12(6-4-5-7-12)10-13-8-11-9-14-15-17(11)3/h9,13H,4-8,10H2,1-3H3
InChIKeyFUBNUDOJTOCCFX-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.78
Rot. Bonds5

About N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 115682190) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
PubChem CID115682190
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNCc2cnnn2C)CCCC1
InChIInChI=1S/C12H23N5/c1-16(2)12(6-4-5-7-12)10-13-8-11-9-14-15-17(11)3/h9,13H,4-8,10H2,1-3H3
InChIKeyFUBNUDOJTOCCFX-UHFFFAOYSA-N
XLogP0.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 103753099
[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 115683848
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415593
N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 78920904
N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide
CID 115682148
6-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 105416845
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104795
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
1-[(1H-imidazol-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 78920886
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 115682285
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine (CID 115682190) is N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine is CN(C)C1(CNCc2cnnn2C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is FUBNUDOJTOCCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-16(2)12(6-4-5-7-12)10-13-8-11-9-14-15-17(11)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 115682190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).