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

C15H27N5O — CID 62429646

IUPACN-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCN(CCn1cc(CNC2CC2)nn1)CC1CCCO1
InChIInChI=1S/C15H27N5O/c1-2-19(12-15-4-3-9-21-15)7-8-20-11-14(17-18-20)10-16-13-5-6-13/h11,13,15-16H,2-10,12H2,1H3
InChIKeyQMLAIJGSYRTLPN-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.03
Rot. Bonds9

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

N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62429646) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62429646
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCN(CCn1cc(CNC2CC2)nn1)CC1CCCO1
InChIInChI=1S/C15H27N5O/c1-2-19(12-15-4-3-9-21-15)7-8-20-11-14(17-18-20)10-16-13-5-6-13/h11,13,15-16H,2-10,12H2,1H3
InChIKeyQMLAIJGSYRTLPN-UHFFFAOYSA-N
XLogP1.03
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62429646) is N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CCN(CCn1cc(CNC2CC2)nn1)CC1CCCO1.
What is the InChIKey of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is QMLAIJGSYRTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-2-19(12-15-4-3-9-21-15)7-8-20-11-14(17-18-20)10-16-13-5-6-13/h11,13,15-16H,2-10,12H2,1H3.
What are the key properties of N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.41 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62429646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).