3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine

C17H30N2 — CID 123966498

IUPAC3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine
SMILESC=C1C(C=CC)=C(C)N(C)C(N(C)C)C1(CC)CC
InChIInChI=1S/C17H30N2/c1-9-12-15-13(4)17(10-2,11-3)16(18(6)7)19(8)14(15)5/h9,12,16H,4,10-11H2,1-3,5-8H3
InChIKeyQISONJDBQTWKBQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.03
Rot. Bonds4

About 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine

3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine (PubChem CID 123966498) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine
PubChem CID123966498
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine
SMILESC=C1C(C=CC)=C(C)N(C)C(N(C)C)C1(CC)CC
InChIInChI=1S/C17H30N2/c1-9-12-15-13(4)17(10-2,11-3)16(18(6)7)19(8)14(15)5/h9,12,16H,4,10-11H2,1-3,5-8H3
InChIKeyQISONJDBQTWKBQ-UHFFFAOYSA-N
XLogP4.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine?
The IUPAC name of 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine (CID 123966498) is 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine.
What is the SMILES notation for 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine?
The canonical SMILES for 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine is C=C1C(C=CC)=C(C)N(C)C(N(C)C)C1(CC)CC.
What is the InChIKey of 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine?
The InChIKey is QISONJDBQTWKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-9-12-15-13(4)17(10-2,11-3)16(18(6)7)19(8)14(15)5/h9,12,16H,4,10-11H2,1-3,5-8H3.
What are the key properties of 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine?
3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine has a molecular weight of 262.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine is sourced from PubChem (CID 123966498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).