1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C15H24N2 — CID 107886838

IUPAC1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCCCC(C)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C15H24N2/c1-3-5-11(2)17-15-7-4-6-12-10-13(16)8-9-14(12)15/h8-11,15,17H,3-7,16H2,1-2H3
InChIKeyRBHARXNOBSNIAF-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.42
Rot. Bonds4

About 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine

1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 107886838) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID107886838
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCCCC(C)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C15H24N2/c1-3-5-11(2)17-15-7-4-6-12-10-13(16)8-9-14(12)15/h8-11,15,17H,3-7,16H2,1-2H3
InChIKeyRBHARXNOBSNIAF-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
2-chloro-N-pentan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687335
1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650350
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722001
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-propan-2-yloxyethanesulfonamide
CID 116650215
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089

Frequently Asked Questions

What is the IUPAC name of 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 107886838) is 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine is CCCC(C)NC1CCCc2cc(N)ccc21.
What is the InChIKey of 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is RBHARXNOBSNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-5-11(2)17-15-7-4-6-12-10-13(16)8-9-14(12)15/h8-11,15,17H,3-7,16H2,1-2H3.
What are the key properties of 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 107886838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).