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

C11H23N5 — CID 63202382

IUPAC3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nnnn1C)C(C)(C)C
InChIInChI=1S/C11H23N5/c1-6-7-12-9(11(2,3)4)8-10-13-14-15-16(10)5/h9,12H,6-8H2,1-5H3
InChIKeyPNJFITCETOELAB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.17
Rot. Bonds5

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

3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine (PubChem CID 63202382) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine
PubChem CID63202382
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nnnn1C)C(C)(C)C
InChIInChI=1S/C11H23N5/c1-6-7-12-9(11(2,3)4)8-10-13-14-15-16(10)5/h9,12H,6-8H2,1-5H3
InChIKeyPNJFITCETOELAB-UHFFFAOYSA-N
XLogP1.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 63197289
N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
CID 161464390
N-[(5-bromo-3-methyltriazol-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106465272
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64649712
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64648159
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207
1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 63202291
N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine (CID 63202382) is 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine is CCCNC(Cc1nnnn1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is PNJFITCETOELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-6-7-12-9(11(2,3)4)8-10-13-14-15-16(10)5/h9,12H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine?
3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63202382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).