2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine

C11H23N5 — CID 107053107

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cc1nnn(C)n1
InChIInChI=1S/C11H23N5/c1-9(2)7-12-8-11(3,4)6-10-13-15-16(5)14-10/h9,12H,6-8H2,1-5H3
InChIKeyRPANGXSDJVZORU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.02
Rot. Bonds6

About 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053107) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053107
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cc1nnn(C)n1
InChIInChI=1S/C11H23N5/c1-9(2)7-12-8-11(3,4)6-10-13-15-16(5)14-10/h9,12H,6-8H2,1-5H3
InChIKeyRPANGXSDJVZORU-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053107) is 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine is CC(C)CNCC(C)(C)Cc1nnn(C)n1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is RPANGXSDJVZORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-9(2)7-12-8-11(3,4)6-10-13-15-16(5)14-10/h9,12H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).