N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine

C23H32N2 — CID 155274273

IUPACN-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)C(=C)C1(C)CCN(Cc2cccc3c2=CCCC=3)CC1
InChIInChI=1S/C23H32N2/c1-5-15-24(4)19(2)23(3)13-16-25(17-14-23)18-21-11-8-10-20-9-6-7-12-22(20)21/h5,8-12H,1-2,6-7,13-18H2,3-4H3
InChIKeyKSSPOCSSBAPYHZ-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.28
Rot. Bonds6

About N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine

N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine (PubChem CID 155274273) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine
PubChem CID155274273
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)C(=C)C1(C)CCN(Cc2cccc3c2=CCCC=3)CC1
InChIInChI=1S/C23H32N2/c1-5-15-24(4)19(2)23(3)13-16-25(17-14-23)18-21-11-8-10-20-9-6-7-12-22(20)21/h5,8-12H,1-2,6-7,13-18H2,3-4H3
InChIKeyKSSPOCSSBAPYHZ-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
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-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine (CID 155274273) is N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine is C=CCN(C)C(=C)C1(C)CCN(Cc2cccc3c2=CCCC=3)CC1.
What is the InChIKey of N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine?
The InChIKey is KSSPOCSSBAPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-5-15-24(4)19(2)23(3)13-16-25(17-14-23)18-21-11-8-10-20-9-6-7-12-22(20)21/h5,8-12H,1-2,6-7,13-18H2,3-4H3.
What are the key properties of N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine?
N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine has a molecular weight of 336.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 155274273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).