N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C17H24N2 — CID 565867

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCN1CC=C(CNc2cccc3c2CCCC3)CC1
InChIInChI=1S/C17H24N2/c1-19-11-9-14(10-12-19)13-18-17-8-4-6-15-5-2-3-7-16(15)17/h4,6,8-9,18H,2-3,5,7,10-13H2,1H3
InChIKeyFECKTPOVZVMFFA-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.24
Rot. Bonds3

About N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 565867) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID565867
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCN1CC=C(CNc2cccc3c2CCCC3)CC1
InChIInChI=1S/C17H24N2/c1-19-11-9-14(10-12-19)13-18-17-8-4-6-15-5-2-3-7-16(15)17/h4,6,8-9,18H,2-3,5,7,10-13H2,1H3
InChIKeyFECKTPOVZVMFFA-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 565867) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CN1CC=C(CNc2cccc3c2CCCC3)CC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is FECKTPOVZVMFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-19-11-9-14(10-12-19)13-18-17-8-4-6-15-5-2-3-7-16(15)17/h4,6,8-9,18H,2-3,5,7,10-13H2,1H3.
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 565867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).