4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile

C16H20N2 — CID 62355059

IUPAC4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile
SMILESC=CCNC1(C#N)CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H20N2/c1-4-11-18-16(12-17)10-9-15(2,3)13-7-5-6-8-14(13)16/h4-8,18H,1,9-11H2,2-3H3
InChIKeyDYXHPTSOYRLXBN-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.25
Rot. Bonds3

About 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile

4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile (PubChem CID 62355059) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile
PubChem CID62355059
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile
SMILESC=CCNC1(C#N)CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H20N2/c1-4-11-18-16(12-17)10-9-15(2,3)13-7-5-6-8-14(13)16/h4-8,18H,1,9-11H2,2-3H3
InChIKeyDYXHPTSOYRLXBN-UHFFFAOYSA-N
XLogP3.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.25
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 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile?
The IUPAC name of 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile (CID 62355059) is 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile is C=CCNC1(C#N)CCC(C)(C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile?
The InChIKey is DYXHPTSOYRLXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-11-18-16(12-17)10-9-15(2,3)13-7-5-6-8-14(13)16/h4-8,18H,1,9-11H2,2-3H3.
What are the key properties of 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile?
4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(prop-2-enylamino)-2,3-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 62355059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).