2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile

C12H20N2 — CID 106661469

IUPAC2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile
SMILESC=CCNC1(C#N)CC(C)(C)CC1C
InChIInChI=1S/C12H20N2/c1-5-6-14-12(9-13)8-11(3,4)7-10(12)2/h5,10,14H,1,6-8H2,2-4H3
InChIKeyYJXMAFFBNZJDLV-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.48
Rot. Bonds3

About 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile

2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile (PubChem CID 106661469) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile
PubChem CID106661469
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile
SMILESC=CCNC1(C#N)CC(C)(C)CC1C
InChIInChI=1S/C12H20N2/c1-5-6-14-12(9-13)8-11(3,4)7-10(12)2/h5,10,14H,1,6-8H2,2-4H3
InChIKeyYJXMAFFBNZJDLV-UHFFFAOYSA-N
XLogP2.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.48
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 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile (CID 106661469) is 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile is C=CCNC1(C#N)CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile?
The InChIKey is YJXMAFFBNZJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-6-14-12(9-13)8-11(3,4)7-10(12)2/h5,10,14H,1,6-8H2,2-4H3.
What are the key properties of 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile?
2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 106661469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).