1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

C14H21N — CID 43198216

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCCCC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H21N/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h8-10,14H,2-7,15H2,1H3
InChIKeyGMLPPJQOEAVULL-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.37
Rot. Bonds3

About 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (PubChem CID 43198216) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
PubChem CID43198216
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCCCC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H21N/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h8-10,14H,2-7,15H2,1H3
InChIKeyGMLPPJQOEAVULL-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
(1S)-1-(9H-fluoren-2-yl)butan-1-amine
CID 171233264
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (CID 43198216) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is CCCC(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The InChIKey is GMLPPJQOEAVULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h8-10,14H,2-7,15H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is sourced from PubChem (CID 43198216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).