N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine

C11H21N5 — CID 115460313

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCn2cc(CN)nn2)CCCC1
InChIInChI=1S/C11H21N5/c1-11(4-2-3-5-11)13-6-7-16-9-10(8-12)14-15-16/h9,13H,2-8,12H2,1H3
InChIKeyUJQADGPBGPVLBC-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.66
Rot. Bonds5

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine (PubChem CID 115460313) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
PubChem CID115460313
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCCn2cc(CN)nn2)CCCC1
InChIInChI=1S/C11H21N5/c1-11(4-2-3-5-11)13-6-7-16-9-10(8-12)14-15-16/h9,13H,2-8,12H2,1H3
InChIKeyUJQADGPBGPVLBC-UHFFFAOYSA-N
XLogP0.66
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methylcyclohexyl)acetamide
CID 115459722
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
2-[4-(aminomethyl)triazol-1-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 113314267
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 103398984
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
3-[4-[[(3-methyloxan-3-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 114113524
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
CID 66338826
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine (CID 115460313) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine is CC1(NCCn2cc(CN)nn2)CCCC1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine?
The InChIKey is UJQADGPBGPVLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-11(4-2-3-5-11)13-6-7-16-9-10(8-12)14-15-16/h9,13H,2-8,12H2,1H3.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 115460313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).