1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine

C10H19N5O — CID 107065522

IUPAC1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCOC1(CC(N)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C10H19N5O/c1-15-13-9(12-14-15)6-8(11)7-10(16-2)4-3-5-10/h8H,3-7,11H2,1-2H3
InChIKeyGKSZVXHNGQCVEW-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.04
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107065522) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107065522
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCOC1(CC(N)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C10H19N5O/c1-15-13-9(12-14-15)6-8(11)7-10(16-2)4-3-5-10/h8H,3-7,11H2,1-2H3
InChIKeyGKSZVXHNGQCVEW-UHFFFAOYSA-N
XLogP0.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107065522) is 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine is COC1(CC(N)Cc2nnn(C)n2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is GKSZVXHNGQCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-13-9(12-14-15)6-8(11)7-10(16-2)4-3-5-10/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107065522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).