2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile

C9H16N2 — CID 12867685

IUPAC2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile
SMILESCC(C)NC1(C#N)CC1(C)C
InChIInChI=1S/C9H16N2/c1-7(2)11-9(6-10)5-8(9,3)4/h7,11H,5H2,1-4H3
InChIKeyAJICVXUEVLKZOR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds2

About 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile

2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile (PubChem CID 12867685) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile
PubChem CID12867685
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile
SMILESCC(C)NC1(C#N)CC1(C)C
InChIInChI=1S/C9H16N2/c1-7(2)11-9(6-10)5-8(9,3)4/h7,11H,5H2,1-4H3
InChIKeyAJICVXUEVLKZOR-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile (CID 12867685) is 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile is CC(C)NC1(C#N)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
The InChIKey is AJICVXUEVLKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)11-9(6-10)5-8(9,3)4/h7,11H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile is sourced from PubChem (CID 12867685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).