cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile

C9H16N2 — CID 135012151

IUPACcis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile
SMILESC[C@@H]1CC[C@@](N)(C#N)C1(C)C
InChIInChI=1S/C9H16N2/c1-7-4-5-9(11,6-10)8(7,2)3/h7H,4-5,11H2,1-3H3/t7-,9-/m1/s1
InChIKeyOWUMBCZCSUBGJZ-VXNVDRBHSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds

About cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile

cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile (PubChem CID 135012151) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile
PubChem CID135012151
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Namecis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile
SMILESC[C@@H]1CC[C@@](N)(C#N)C1(C)C
InChIInChI=1S/C9H16N2/c1-7-4-5-9(11,6-10)8(7,2)3/h7H,4-5,11H2,1-3H3/t7-,9-/m1/s1
InChIKeyOWUMBCZCSUBGJZ-VXNVDRBHSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile?
The IUPAC name of cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile (CID 135012151) is cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile?
The canonical SMILES for cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile is C[C@@H]1CC[C@@](N)(C#N)C1(C)C.
What is the InChIKey of cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile?
The InChIKey is OWUMBCZCSUBGJZ-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-5-9(11,6-10)8(7,2)3/h7H,4-5,11H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile?
cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-amino-2,2,3-trimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 135012151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).