2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine

C17H28N2 — CID 83931757

IUPAC2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
SMILESCC(c1ccc2c(c1)CCCC2)C(C)C(CN)CN
InChIInChI=1S/C17H28N2/c1-12(13(2)17(10-18)11-19)15-8-7-14-5-3-4-6-16(14)9-15/h7-9,12-13,17H,3-6,10-11,18-19H2,1-2H3
InChIKeyVIMMZZVOCMUCHD-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.84
Rot. Bonds5

About 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine

2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine (PubChem CID 83931757) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
PubChem CID83931757
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
SMILESCC(c1ccc2c(c1)CCCC2)C(C)C(CN)CN
InChIInChI=1S/C17H28N2/c1-12(13(2)17(10-18)11-19)15-8-7-14-5-3-4-6-16(14)9-15/h7-9,12-13,17H,3-6,10-11,18-19H2,1-2H3
InChIKeyVIMMZZVOCMUCHD-UHFFFAOYSA-N
XLogP2.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83931724
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxyethanamine
CID 82111881
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
CID 100938852
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
CID 82040234
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine (CID 83931757) is 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine is CC(c1ccc2c(c1)CCCC2)C(C)C(CN)CN.
What is the InChIKey of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine?
The InChIKey is VIMMZZVOCMUCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(13(2)17(10-18)11-19)15-8-7-14-5-3-4-6-16(14)9-15/h7-9,12-13,17H,3-6,10-11,18-19H2,1-2H3.
What are the key properties of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine?
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83931757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).