N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H25N5O — CID 62434657

IUPACN-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)CC1CCCO1
InChIInChI=1S/C14H25N5O/c1-18(11-14-3-2-8-20-14)6-7-19-10-13(16-17-19)9-15-12-4-5-12/h10,12,14-15H,2-9,11H2,1H3
InChIKeyVSYNYCOLSJDGIU-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.64
Rot. Bonds8

About N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62434657) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62434657
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)CC1CCCO1
InChIInChI=1S/C14H25N5O/c1-18(11-14-3-2-8-20-14)6-7-19-10-13(16-17-19)9-15-12-4-5-12/h10,12,14-15H,2-9,11H2,1H3
InChIKeyVSYNYCOLSJDGIU-UHFFFAOYSA-N
XLogP0.64
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62434657) is N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CN(CCn1cc(CNC2CC2)nn1)CC1CCCO1.
What is the InChIKey of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is VSYNYCOLSJDGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18(11-14-3-2-8-20-14)6-7-19-10-13(16-17-19)9-15-12-4-5-12/h10,12,14-15H,2-9,11H2,1H3.
What are the key properties of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 279.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62434657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).