1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

C14H22N2 — CID 105473328

IUPAC1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCC(C)(C)NC1CCCc2ccc(N)cc21
InChIInChI=1S/C14H22N2/c1-14(2,3)16-13-6-4-5-10-7-8-11(15)9-12(10)13/h7-9,13,16H,4-6,15H2,1-3H3
InChIKeyVJCGQBZVBYPPGG-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.03
Rot. Bonds1

About 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (PubChem CID 105473328) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
PubChem CID105473328
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCC(C)(C)NC1CCCc2ccc(N)cc21
InChIInChI=1S/C14H22N2/c1-14(2,3)16-13-6-4-5-10-7-8-11(15)9-12(10)13/h7-9,13,16H,4-6,15H2,1-3H3
InChIKeyVJCGQBZVBYPPGG-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The IUPAC name of 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (CID 105473328) is 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.
What is the SMILES notation for 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The canonical SMILES for 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is CC(C)(C)NC1CCCc2ccc(N)cc21.
What is the InChIKey of 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The InChIKey is VJCGQBZVBYPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)16-13-6-4-5-10-7-8-11(15)9-12(10)13/h7-9,13,16H,4-6,15H2,1-3H3.
What are the key properties of 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is sourced from PubChem (CID 105473328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).