N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine

C17H28N2 — CID 115197541

IUPACN'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
SMILESCC(C)(CNCCCN)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H28N2/c1-17(2,13-19-11-5-10-18)16-9-8-14-6-3-4-7-15(14)12-16/h8-9,12,19H,3-7,10-11,13,18H2,1-2H3
InChIKeyJNYHVABXKKYQMT-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.78
Rot. Bonds6

About N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine

N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine (PubChem CID 115197541) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
PubChem CID115197541
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
SMILESCC(C)(CNCCCN)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H28N2/c1-17(2,13-19-11-5-10-18)16-9-8-14-6-3-4-7-15(14)12-16/h8-9,12,19H,3-7,10-11,13,18H2,1-2H3
InChIKeyJNYHVABXKKYQMT-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propane-1-thiol
CID 115225322
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 115197598
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine (CID 115197541) is N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine is CC(C)(CNCCCN)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine?
The InChIKey is JNYHVABXKKYQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,13-19-11-5-10-18)16-9-8-14-6-3-4-7-15(14)12-16/h8-9,12,19H,3-7,10-11,13,18H2,1-2H3.
What are the key properties of N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine?
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 115197541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).