N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine

C14H29N5O — CID 62458984

IUPACN-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOCCN(CC)CC)nn1
InChIInChI=1S/C14H29N5O/c1-4-7-15-12-14-13-19(17-16-14)9-11-20-10-8-18(5-2)6-3/h13,15H,4-12H2,1-3H3
InChIKeyKEKYYEZAAMNFBK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.14
Rot. Bonds12

About N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine

N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 62458984) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID62458984
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOCCN(CC)CC)nn1
InChIInChI=1S/C14H29N5O/c1-4-7-15-12-14-13-19(17-16-14)9-11-20-10-8-18(5-2)6-3/h13,15H,4-12H2,1-3H3
InChIKeyKEKYYEZAAMNFBK-UHFFFAOYSA-N
XLogP1.14
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63691433
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-[[1-[2-(3,3-dimethylbutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 66224811
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62429644
N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62435948

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine (CID 62458984) is N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCOCCN(CC)CC)nn1.
What is the InChIKey of N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is KEKYYEZAAMNFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-4-7-15-12-14-13-19(17-16-14)9-11-20-10-8-18(5-2)6-3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 1.14, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62458984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).