N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine

C10H19N5O — CID 104766007

IUPACN-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)OCCn1nnnc1CNC1CC1
InChIInChI=1S/C10H19N5O/c1-8(2)16-6-5-15-10(12-13-14-15)7-11-9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyQZUTUDDMYLPLSZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.35
Rot. Bonds7

About N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 104766007) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID104766007
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)OCCn1nnnc1CNC1CC1
InChIInChI=1S/C10H19N5O/c1-8(2)16-6-5-15-10(12-13-14-15)7-11-9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyQZUTUDDMYLPLSZ-UHFFFAOYSA-N
XLogP0.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 104766007) is N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine is CC(C)OCCn1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QZUTUDDMYLPLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)16-6-5-15-10(12-13-14-15)7-11-9-3-4-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 225.30 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104766007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).