N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H28N2 — CID 115717469

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CCC(CCNC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H28N2/c1-20-13-10-15(11-14-20)9-12-19-18-8-4-6-16-5-2-3-7-17(16)18/h2-3,5,7,15,18-19H,4,6,8-14H2,1H3
InChIKeyMOZHXPLWSCCYFL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115717469) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115717469
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CCC(CCNC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H28N2/c1-20-13-10-15(11-14-20)9-12-19-18-8-4-6-16-5-2-3-7-17(16)18/h2-3,5,7,15,18-19H,4,6,8-14H2,1H3
InChIKeyMOZHXPLWSCCYFL-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 114515188
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115717469) is N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CN1CCC(CCNC2CCCc3ccccc32)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MOZHXPLWSCCYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20-13-10-15(11-14-20)9-12-19-18-8-4-6-16-5-2-3-7-17(16)18/h2-3,5,7,15,18-19H,4,6,8-14H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115717469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).