4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine

C17H25N — CID 142380822

IUPAC4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine
SMILESC1CCNC1.C=C1CCc2ccc(C)cc2C1C
InChIInChI=1S/C13H16.C4H9N/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;1-2-4-5-3-1/h4,6,8,11H,2,5,7H2,1,3H3;5H,1-4H2
InChIKeyNFAUSSYUJQWJAW-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.97
Rot. Bonds

About 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine

4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine (PubChem CID 142380822) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine.

Molecular Properties

Compound Name4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine
PubChem CID142380822
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine
SMILESC1CCNC1.C=C1CCc2ccc(C)cc2C1C
InChIInChI=1S/C13H16.C4H9N/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;1-2-4-5-3-1/h4,6,8,11H,2,5,7H2,1,3H3;5H,1-4H2
InChIKeyNFAUSSYUJQWJAW-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine?
The IUPAC name of 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine (CID 142380822) is 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine.
What is the SMILES notation for 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine?
The canonical SMILES for 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine is C1CCNC1.C=C1CCc2ccc(C)cc2C1C.
What is the InChIKey of 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine?
The InChIKey is NFAUSSYUJQWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C4H9N/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;1-2-4-5-3-1/h4,6,8,11H,2,5,7H2,1,3H3;5H,1-4H2.
What are the key properties of 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine?
4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine has a molecular weight of 243.39 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-methylidene-2,4-dihydro-1H-naphthalene;pyrrolidine is sourced from PubChem (CID 142380822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).