N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine

C11H23N5 — CID 62433554

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

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine (PubChem CID 62433554) 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-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine
PubChem CID62433554
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CCn1cc(CN)nn1
InChIInChI=1S/C11H23N5/c1-4-11(5-2)15(3)6-7-16-9-10(8-12)13-14-16/h9,11H,4-8,12H2,1-3H3
InChIKeyZFMOGMMFKPUMJZ-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

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665709
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine
CID 62420882
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
CID 55069972
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
CID 62418960
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine (CID 62433554) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine is CCC(CC)N(C)CCn1cc(CN)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine?
The InChIKey is ZFMOGMMFKPUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-4-11(5-2)15(3)6-7-16-9-10(8-12)13-14-16/h9,11H,4-8,12H2,1-3H3.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-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-methylpentan-3-amine is sourced from PubChem (CID 62433554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).