N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine

C14H29N5 — CID 62426850

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
SMILESCCNCc1cn(CCN(C)C(C)C(C)(C)C)nn1
InChIInChI=1S/C14H29N5/c1-7-15-10-13-11-19(17-16-13)9-8-18(6)12(2)14(3,4)5/h11-12,15H,7-10H2,1-6H3
InChIKeyAYNQPVVGSOCLNR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.75
Rot. Bonds7

About N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine (PubChem CID 62426850) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
PubChem CID62426850
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
SMILESCCNCc1cn(CCN(C)C(C)C(C)(C)C)nn1
InChIInChI=1S/C14H29N5/c1-7-15-10-13-11-19(17-16-13)9-8-18(6)12(2)14(3,4)5/h11-12,15H,7-10H2,1-6H3
InChIKeyAYNQPVVGSOCLNR-UHFFFAOYSA-N
XLogP1.75
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.75
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-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
CID 62418960
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
CID 62463402
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
CID 62421792
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
CID 62436489
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine (CID 62426850) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine is CCNCc1cn(CCN(C)C(C)C(C)(C)C)nn1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is AYNQPVVGSOCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-7-15-10-13-11-19(17-16-13)9-8-18(6)12(2)14(3,4)5/h11-12,15H,7-10H2,1-6H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 62426850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).