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

C17H26Cl2N2 — CID 2837643

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride
SMILESCN1CC=C(CNc2cccc3c2CCCC3)CC1.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/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;2*1H
InChIKeyYMCQYXZQISMSRM-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.08
Rot. Bonds3

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

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride (PubChem CID 2837643) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride
PubChem CID2837643
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride
SMILESCN1CC=C(CNc2cccc3c2CCCC3)CC1.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/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;2*1H
InChIKeyYMCQYXZQISMSRM-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.08
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;dihydrochloride?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride (CID 2837643) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride is CN1CC=C(CNc2cccc3c2CCCC3)CC1.Cl.Cl.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride?
The InChIKey is YMCQYXZQISMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2ClH/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;2*1H.
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 4.08, 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;dihydrochloride is sourced from PubChem (CID 2837643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).