3-(4-methylpentan-2-ylamino)butanenitrile

C10H20N2 — CID 60914493

IUPAC3-(4-methylpentan-2-ylamino)butanenitrile
SMILESCC(C)CC(C)NC(C)CC#N
InChIInChI=1S/C10H20N2/c1-8(2)7-10(4)12-9(3)5-6-11/h8-10,12H,5,7H2,1-4H3
InChIKeyMQOOSZNUIXSQOX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.31
Rot. Bonds5

About 3-(4-methylpentan-2-ylamino)butanenitrile

3-(4-methylpentan-2-ylamino)butanenitrile (PubChem CID 60914493) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(4-methylpentan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name3-(4-methylpentan-2-ylamino)butanenitrile
PubChem CID60914493
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(4-methylpentan-2-ylamino)butanenitrile
SMILESCC(C)CC(C)NC(C)CC#N
InChIInChI=1S/C10H20N2/c1-8(2)7-10(4)12-9(3)5-6-11/h8-10,12H,5,7H2,1-4H3
InChIKeyMQOOSZNUIXSQOX-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
1,1',3,3'-Tetramethyldibutylamine
CID 96012
N-Ethyl-1-amino-1,3-dimethylbutane
CID 39359
2-Ethyl-3-(methylamino)hexanenitrile
CID 26636
3-(Tert-Octylamino)Propionitrile
CID 573950
Acetonitrile, (1,1,3-trimethylbutylamino)-, hydrochloride
CID 51984
3-((3-Methylbutyl)amino)propanenitrile
CID 28728247
4-methyl-N-propylpentan-2-amine
CID 24702983
2-Ethyl-2-(ethylamino)butanenitrile
CID 33787729
(2S)-3-(3-fluoropropylamino)-2-methylbutanenitrile
CID 149303527
3-Methyl-2-(propan-2-ylamino)butanenitrile
CID 332394
2-(Butylamino)-3-methylbutanenitrile
CID 13809005

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-ylamino)butanenitrile?
The IUPAC name of 3-(4-methylpentan-2-ylamino)butanenitrile (CID 60914493) is 3-(4-methylpentan-2-ylamino)butanenitrile.
What is the SMILES notation for 3-(4-methylpentan-2-ylamino)butanenitrile?
The canonical SMILES for 3-(4-methylpentan-2-ylamino)butanenitrile is CC(C)CC(C)NC(C)CC#N.
What is the InChIKey of 3-(4-methylpentan-2-ylamino)butanenitrile?
The InChIKey is MQOOSZNUIXSQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)7-10(4)12-9(3)5-6-11/h8-10,12H,5,7H2,1-4H3.
What are the key properties of 3-(4-methylpentan-2-ylamino)butanenitrile?
3-(4-methylpentan-2-ylamino)butanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-ylamino)butanenitrile is sourced from PubChem (CID 60914493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).