N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine

C10H19N5O — CID 107044766

IUPACN-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1nnn(C)n1
InChIInChI=1S/C10H19N5O/c1-3-11-9-4-5-16-7-8(9)6-10-12-14-15(2)13-10/h8-9,11H,3-7H2,1-2H3
InChIKeyDTMSTMQOUNGHEK-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.23
Rot. Bonds4

About N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine

N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine (PubChem CID 107044766) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
PubChem CID107044766
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1nnn(C)n1
InChIInChI=1S/C10H19N5O/c1-3-11-9-4-5-16-7-8(9)6-10-12-14-15(2)13-10/h8-9,11H,3-7H2,1-2H3
InChIKeyDTMSTMQOUNGHEK-UHFFFAOYSA-N
XLogP-0.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine (CID 107044766) is N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine is CCNC1CCOCC1Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
The InChIKey is DTMSTMQOUNGHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-11-9-4-5-16-7-8(9)6-10-12-14-15(2)13-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine has a molecular weight of 225.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine is sourced from PubChem (CID 107044766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).