2-(cycloheptylamino)-2-methylhex-5-enenitrile

C14H24N2 — CID 104655930

IUPAC2-(cycloheptylamino)-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NC1CCCCCC1
InChIInChI=1S/C14H24N2/c1-3-4-11-14(2,12-15)16-13-9-7-5-6-8-10-13/h3,13,16H,1,4-11H2,2H3
InChIKeyDIXKXISSYDKCTJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds5

About 2-(cycloheptylamino)-2-methylhex-5-enenitrile

2-(cycloheptylamino)-2-methylhex-5-enenitrile (PubChem CID 104655930) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-methylhex-5-enenitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-methylhex-5-enenitrile
PubChem CID104655930
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(cycloheptylamino)-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NC1CCCCCC1
InChIInChI=1S/C14H24N2/c1-3-4-11-14(2,12-15)16-13-9-7-5-6-8-10-13/h3,13,16H,1,4-11H2,2H3
InChIKeyDIXKXISSYDKCTJ-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-2-methylhex-5-enenitrile
CID 104655926
2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466
2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509188
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
2-N,2-N'-dicyclohexylbut-3-ene-2,2-diamine
CID 87208468
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
CID 106204139
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 63120172
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile
CID 104655896

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-methylhex-5-enenitrile?
The IUPAC name of 2-(cycloheptylamino)-2-methylhex-5-enenitrile (CID 104655930) is 2-(cycloheptylamino)-2-methylhex-5-enenitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-methylhex-5-enenitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-methylhex-5-enenitrile is C=CCCC(C)(C#N)NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-2-methylhex-5-enenitrile?
The InChIKey is DIXKXISSYDKCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-11-14(2,12-15)16-13-9-7-5-6-8-10-13/h3,13,16H,1,4-11H2,2H3.
What are the key properties of 2-(cycloheptylamino)-2-methylhex-5-enenitrile?
2-(cycloheptylamino)-2-methylhex-5-enenitrile has a molecular weight of 220.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-methylhex-5-enenitrile is sourced from PubChem (CID 104655930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).