2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile

C10H20N2 — CID 60915967

IUPAC2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C)C(C)(C#N)NC(C)C
InChIInChI=1S/C10H20N2/c1-6-9(4)10(5,7-11)12-8(2)3/h8-9,12H,6H2,1-5H3
InChIKeyDRRQXEWCGNOPQN-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.31
Rot. Bonds4

About 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile

2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 60915967) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID60915967
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C)C(C)(C#N)NC(C)C
InChIInChI=1S/C10H20N2/c1-6-9(4)10(5,7-11)12-8(2)3/h8-9,12H,6H2,1-5H3
InChIKeyDRRQXEWCGNOPQN-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
CID 61005954
2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile
CID 62586061
2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
CID 62354448
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
2,3-dimethyl-2-(2-methylanilino)pentanenitrile
CID 60990449
2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
CID 54887592
2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile
CID 60925665
2-butan-2-yl-2-hydroxy-3-methylpentanenitrile
CID 21399613
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
2,2,3,4-tetramethylhexanenitrile
CID 130631375
1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
CID 123373940
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile (CID 60915967) is 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile is CCC(C)C(C)(C#N)NC(C)C.
What is the InChIKey of 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is DRRQXEWCGNOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-9(4)10(5,7-11)12-8(2)3/h8-9,12H,6H2,1-5H3.
What are the key properties of 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile?
2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 60915967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).