4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine

C11H23N5 — CID 63197289

IUPAC4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nnnn1C)C(C)C
InChIInChI=1S/C11H23N5/c1-6-7-12-9(4)10(8(2)3)11-13-14-15-16(11)5/h8-10,12H,6-7H2,1-5H3
InChIKeyUJJCCXUXLRZJIU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.34
Rot. Bonds6

About 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine

4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine (PubChem CID 63197289) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
PubChem CID63197289
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nnnn1C)C(C)C
InChIInChI=1S/C11H23N5/c1-6-7-12-9(4)10(8(2)3)11-13-14-15-16(11)5/h8-10,12H,6-7H2,1-5H3
InChIKeyUJJCCXUXLRZJIU-UHFFFAOYSA-N
XLogP1.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine (CID 63197289) is 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine is CCCNC(C)C(c1nnnn1C)C(C)C.
What is the InChIKey of 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine?
The InChIKey is UJJCCXUXLRZJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-6-7-12-9(4)10(8(2)3)11-13-14-15-16(11)5/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine?
4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 63197289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).