N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine

C13H25N5 — CID 62421792

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCn1cc(CNCC)nn1)C1CC1
InChIInChI=1S/C13H25N5/c1-3-7-17(13-5-6-13)8-9-18-11-12(15-16-18)10-14-4-2/h11,13-14H,3-10H2,1-2H3
InChIKeyIQENRXRVYXVDAM-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.26
Rot. Bonds9

About N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine (PubChem CID 62421792) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
PubChem CID62421792
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCn1cc(CNCC)nn1)C1CC1
InChIInChI=1S/C13H25N5/c1-3-7-17(13-5-6-13)8-9-18-11-12(15-16-18)10-14-4-2/h11,13-14H,3-10H2,1-2H3
InChIKeyIQENRXRVYXVDAM-UHFFFAOYSA-N
XLogP1.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
CID 62463402
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
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,2-dimethylaniline
CID 62436489
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine (CID 62421792) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine is CCCN(CCn1cc(CNCC)nn1)C1CC1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine?
The InChIKey is IQENRXRVYXVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-7-17(13-5-6-13)8-9-18-11-12(15-16-18)10-14-4-2/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propylcyclopropanamine has a molecular weight of 251.38 g/mol, XLogP of 1.26, 9 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-propylcyclopropanamine is sourced from PubChem (CID 62421792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).