N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine

C15H31N5 — CID 62463402

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CCn1cc(CNCC)nn1)C(C)C
InChIInChI=1S/C15H31N5/c1-5-7-8-9-19(14(3)4)10-11-20-13-15(17-18-20)12-16-6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyJAZWNTRVDXBNHV-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.29
Rot. Bonds11

About N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62463402) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
PubChem CID62463402
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CCn1cc(CNCC)nn1)C(C)C
InChIInChI=1S/C15H31N5/c1-5-7-8-9-19(14(3)4)10-11-20-13-15(17-18-20)12-16-6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyJAZWNTRVDXBNHV-UHFFFAOYSA-N
XLogP2.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine
CID 62420882
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
CID 62421792
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665709
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine (CID 62463402) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine is CCCCCN(CCn1cc(CNCC)nn1)C(C)C.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is JAZWNTRVDXBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-5-7-8-9-19(14(3)4)10-11-20-13-15(17-18-20)12-16-6-2/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 281.45 g/mol, XLogP of 2.29, 11 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-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62463402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).