2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile

C11H20N2 — CID 126980064

IUPAC2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile
SMILESCC(C)C1CCC(C(N)C#N)CC1
InChIInChI=1S/C11H20N2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h8-11H,3-6,13H2,1-2H3
InChIKeyHKSSOHNXZORKBR-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.30
Rot. Bonds2

About 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile

2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile (PubChem CID 126980064) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile
PubChem CID126980064
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile
SMILESCC(C)C1CCC(C(N)C#N)CC1
InChIInChI=1S/C11H20N2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h8-11H,3-6,13H2,1-2H3
InChIKeyHKSSOHNXZORKBR-UHFFFAOYSA-N
XLogP2.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[4-(trifluoromethyl)cyclohexyl]acetonitrile
CID 166454783
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
propan-2-ylcyclopropane;hydroiodide
CID 162314014
ethyl 2-[4-[(R)-amino(cyano)methyl]cyclohexyl]acetate
CID 125472006
2-amino-2-(azetidin-3-yl)acetonitrile
CID 175895085
4-propan-2-ylcyclohexan-1-ol
CID 159817143
1-cyclopropylethanamine
CID 519239
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
(1R)-1-amino-1-cyclopropylpropan-2-ol
CID 68935616
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
(2S)-2-aminopropanenitrile;hydrochloride
CID 71757440
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile?
The IUPAC name of 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile (CID 126980064) is 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile is CC(C)C1CCC(C(N)C#N)CC1.
What is the InChIKey of 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile?
The InChIKey is HKSSOHNXZORKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h8-11H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile?
2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile has a molecular weight of 180.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-propan-2-ylcyclohexyl)acetonitrile is sourced from PubChem (CID 126980064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).