(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

C19H27N5 — CID 129345034

IUPAC(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESCC(C)(C)n1nnnc1CNC1[C@H]2CC[C@H]1Cc1ccccc1C2
InChIInChI=1S/C19H27N5/c1-19(2,3)24-17(21-22-23-24)12-20-18-15-8-9-16(18)11-14-7-5-4-6-13(14)10-15/h4-7,15-16,18,20H,8-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyPCPVZDLQBXIZPY-HOTGVXAUSA-N
MW325.46 g/mol
LogP2.71
Rot. Bonds3

About (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (PubChem CID 129345034) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.

Molecular Properties

Compound Name(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
PubChem CID129345034
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESCC(C)(C)n1nnnc1CNC1[C@H]2CC[C@H]1Cc1ccccc1C2
InChIInChI=1S/C19H27N5/c1-19(2,3)24-17(21-22-23-24)12-20-18-15-8-9-16(18)11-14-7-5-4-6-13(14)10-15/h4-7,15-16,18,20H,8-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyPCPVZDLQBXIZPY-HOTGVXAUSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The IUPAC name of (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (CID 129345034) is (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.
What is the SMILES notation for (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The canonical SMILES for (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is CC(C)(C)n1nnnc1CNC1[C@H]2CC[C@H]1Cc1ccccc1C2.
What is the InChIKey of (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The InChIKey is PCPVZDLQBXIZPY-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H27N5/c1-19(2,3)24-17(21-22-23-24)12-20-18-15-8-9-16(18)11-14-7-5-4-6-13(14)10-15/h4-7,15-16,18,20H,8-12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine has a molecular weight of 325.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is sourced from PubChem (CID 129345034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).