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

C11H23N5 — CID 62420882

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CCn1cc(CN)nn1)C(C)C
InChIInChI=1S/C11H23N5/c1-4-5-15(10(2)3)6-7-16-9-11(8-12)13-14-16/h9-10H,4-8,12H2,1-3H3
InChIKeyWKJCFQADKHQKAI-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.86
Rot. Bonds7

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

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine (PubChem CID 62420882) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine
PubChem CID62420882
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CCn1cc(CN)nn1)C(C)C
InChIInChI=1S/C11H23N5/c1-4-5-15(10(2)3)6-7-16-9-11(8-12)13-14-16/h9-10H,4-8,12H2,1-3H3
InChIKeyWKJCFQADKHQKAI-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[propan-2-yl(propyl)amino]ethyl]triazole-4-carbohydrazide
CID 63574218
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
CID 62463402
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine
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2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
CID 55069972
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
1-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 54994674
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]-propan-2-ylamino]acetic acid
CID 113314113
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine (CID 62420882) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine is CCCN(CCn1cc(CN)nn1)C(C)C.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is WKJCFQADKHQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-4-5-15(10(2)3)6-7-16-9-11(8-12)13-14-16/h9-10H,4-8,12H2,1-3H3.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 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]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62420882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).