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

C13H20N2 — CID 116932733

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
SMILESNCCC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H20N2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7-8,14-15H2
InChIKeyHYLSWBYSSYOJHB-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.91
Rot. Bonds3

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

1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine (PubChem CID 116932733) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
PubChem CID116932733
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
SMILESNCCC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H20N2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7-8,14-15H2
InChIKeyHYLSWBYSSYOJHB-UHFFFAOYSA-N
XLogP1.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
CID 130479547
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 116850923
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine (CID 116932733) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine is NCCC(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The InChIKey is HYLSWBYSSYOJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7-8,14-15H2.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116932733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).