N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine

C10H19N5O — CID 107050801

IUPACN-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)CC1CCOC1
InChIInChI=1S/C10H19N5O/c1-11-9(5-8-3-4-16-7-8)6-10-12-14-15(2)13-10/h8-9,11H,3-7H2,1-2H3
InChIKeyKSVURRGAUBIRTA-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.23
Rot. Bonds5

About N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine

N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine (PubChem CID 107050801) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine
PubChem CID107050801
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)CC1CCOC1
InChIInChI=1S/C10H19N5O/c1-11-9(5-8-3-4-16-7-8)6-10-12-14-15(2)13-10/h8-9,11H,3-7H2,1-2H3
InChIKeyKSVURRGAUBIRTA-UHFFFAOYSA-N
XLogP-0.23
TPSA64.86 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 ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine (CID 107050801) is N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine is CNC(Cc1nnn(C)n1)CC1CCOC1.
What is the InChIKey of N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is KSVURRGAUBIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-11-9(5-8-3-4-16-7-8)6-10-12-14-15(2)13-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 225.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 107050801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).