2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine

C14H22N2 — CID 70058066

IUPAC2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
SMILESCCCNC1c2cccc(N)c2CCC1C
InChIInChI=1S/C14H22N2/c1-3-9-16-14-10(2)7-8-11-12(14)5-4-6-13(11)15/h4-6,10,14,16H,3,7-9,15H2,1-2H3
InChIKeyYBEKRAMNNNSOBM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine

2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine (PubChem CID 70058066) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine.

Molecular Properties

Compound Name2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
PubChem CID70058066
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
SMILESCCCNC1c2cccc(N)c2CCC1C
InChIInChI=1S/C14H22N2/c1-3-9-16-14-10(2)7-8-11-12(14)5-4-6-13(11)15/h4-6,10,14,16H,3,7-9,15H2,1-2H3
InChIKeyYBEKRAMNNNSOBM-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.89
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 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The IUPAC name of 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine (CID 70058066) is 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine.
What is the SMILES notation for 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The canonical SMILES for 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine is CCCNC1c2cccc(N)c2CCC1C.
What is the InChIKey of 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The InChIKey is YBEKRAMNNNSOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-9-16-14-10(2)7-8-11-12(14)5-4-6-13(11)15/h4-6,10,14,16H,3,7-9,15H2,1-2H3.
What are the key properties of 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine is sourced from PubChem (CID 70058066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).