N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

C13H25N5 — CID 107053545

IUPACN-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(C)(CNC(C)(C)C)C2CC2)n1
InChIInChI=1S/C13H25N5/c1-12(2,3)14-9-13(4,10-6-7-10)8-11-15-17-18(5)16-11/h10,14H,6-9H2,1-5H3
InChIKeyPVSNLBNOYBZKJL-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.56
Rot. Bonds5

About N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053545) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053545
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(C)(CNC(C)(C)C)C2CC2)n1
InChIInChI=1S/C13H25N5/c1-12(2,3)14-9-13(4,10-6-7-10)8-11-15-17-18(5)16-11/h10,14H,6-9H2,1-5H3
InChIKeyPVSNLBNOYBZKJL-UHFFFAOYSA-N
XLogP1.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053537
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
1-amino-2-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046313
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83150655
N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
CID 107053558
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
2-methyl-N-[[2-[(2-methyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 107053119
N-ethyl-2,2-dimethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053097
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107067066
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83159712
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046399

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053545) is N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is Cn1nnc(CC(C)(CNC(C)(C)C)C2CC2)n1.
What is the InChIKey of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is PVSNLBNOYBZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-12(2,3)14-9-13(4,10-6-7-10)8-11-15-17-18(5)16-11/h10,14H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).