2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile

C13H24N2 — CID 62743028

IUPAC2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
SMILESCC(C)C(C)NC1CCCCCC1C#N
InChIInChI=1S/C13H24N2/c1-10(2)11(3)15-13-8-6-4-5-7-12(13)9-14/h10-13,15H,4-8H2,1-3H3
InChIKeyVUHZUKVYYKISIW-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds3

About 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile

2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile (PubChem CID 62743028) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
PubChem CID62743028
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
SMILESCC(C)C(C)NC1CCCCCC1C#N
InChIInChI=1S/C13H24N2/c1-10(2)11(3)15-13-8-6-4-5-7-12(13)9-14/h10-13,15H,4-8H2,1-3H3
InChIKeyVUHZUKVYYKISIW-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile (CID 62743028) is 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile is CC(C)C(C)NC1CCCCCC1C#N.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile?
The InChIKey is VUHZUKVYYKISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)11(3)15-13-8-6-4-5-7-12(13)9-14/h10-13,15H,4-8H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile?
2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 62743028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).