2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H28N2 — CID 65281364

IUPAC2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1(C)CCCN(C2CCc3ccccc3C2N)CC1
InChIInChI=1S/C18H28N2/c1-18(2)10-5-12-20(13-11-18)16-9-8-14-6-3-4-7-15(14)17(16)19/h3-4,6-7,16-17H,5,8-13,19H2,1-2H3
InChIKeyLDRNFFBYHBNITI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.51
Rot. Bonds1

About 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65281364) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65281364
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1(C)CCCN(C2CCc3ccccc3C2N)CC1
InChIInChI=1S/C18H28N2/c1-18(2)10-5-12-20(13-11-18)16-9-8-14-6-3-4-7-15(14)17(16)19/h3-4,6-7,16-17H,5,8-13,19H2,1-2H3
InChIKeyLDRNFFBYHBNITI-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62204652
6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63219890
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
2-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62200551
(11S,11aS)-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 54082330
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 67828813
1-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethylpiperidin-4-amine
CID 113282872
1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol
CID 19919725

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65281364) is 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1(C)CCCN(C2CCc3ccccc3C2N)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LDRNFFBYHBNITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)10-5-12-20(13-11-18)16-9-8-14-6-3-4-7-15(14)17(16)19/h3-4,6-7,16-17H,5,8-13,19H2,1-2H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65281364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).