(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C15H22N2 — CID 105422246

IUPAC(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNCC1CCCc2cccc(N3CCCC3)c21
InChIInChI=1S/C15H22N2/c16-11-13-7-3-5-12-6-4-8-14(15(12)13)17-9-1-2-10-17/h4,6,8,13H,1-3,5,7,9-11,16H2
InChIKeyKJTVUWDKMXUXDN-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.67
Rot. Bonds2

About (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 105422246) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID105422246
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNCC1CCCc2cccc(N3CCCC3)c21
InChIInChI=1S/C15H22N2/c16-11-13-7-3-5-12-6-4-8-14(15(12)13)17-9-1-2-10-17/h4,6,8,13H,1-3,5,7,9-11,16H2
InChIKeyKJTVUWDKMXUXDN-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105422248
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine
CID 84629848
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 105488680
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1,2,3,4-tetrahydrochrysen-4-ylmethanamine
CID 174766755
(1,5-dimethyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 112709575
1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
CID 10374901
4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 67187732
3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine
CID 112708686
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
CID 82372261

Frequently Asked Questions

What is the IUPAC name of (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 105422246) is (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is NCC1CCCc2cccc(N3CCCC3)c21.
What is the InChIKey of (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is KJTVUWDKMXUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-11-13-7-3-5-12-6-4-8-14(15(12)13)17-9-1-2-10-17/h4,6,8,13H,1-3,5,7,9-11,16H2.
What are the key properties of (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 230.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 105422246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).