3-(3-methylpentan-2-ylamino)pentanenitrile

C11H22N2 — CID 61463482

IUPAC3-(3-methylpentan-2-ylamino)pentanenitrile
SMILESCCC(CC#N)NC(C)C(C)CC
InChIInChI=1S/C11H22N2/c1-5-9(3)10(4)13-11(6-2)7-8-12/h9-11,13H,5-7H2,1-4H3
InChIKeyBYVMKGJJQKQYPP-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.70
Rot. Bonds6

About 3-(3-methylpentan-2-ylamino)pentanenitrile

3-(3-methylpentan-2-ylamino)pentanenitrile (PubChem CID 61463482) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(3-methylpentan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name3-(3-methylpentan-2-ylamino)pentanenitrile
PubChem CID61463482
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(3-methylpentan-2-ylamino)pentanenitrile
SMILESCCC(CC#N)NC(C)C(C)CC
InChIInChI=1S/C11H22N2/c1-5-9(3)10(4)13-11(6-2)7-8-12/h9-11,13H,5-7H2,1-4H3
InChIKeyBYVMKGJJQKQYPP-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-ylamino)pentanenitrile?
The IUPAC name of 3-(3-methylpentan-2-ylamino)pentanenitrile (CID 61463482) is 3-(3-methylpentan-2-ylamino)pentanenitrile.
What is the SMILES notation for 3-(3-methylpentan-2-ylamino)pentanenitrile?
The canonical SMILES for 3-(3-methylpentan-2-ylamino)pentanenitrile is CCC(CC#N)NC(C)C(C)CC.
What is the InChIKey of 3-(3-methylpentan-2-ylamino)pentanenitrile?
The InChIKey is BYVMKGJJQKQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-9(3)10(4)13-11(6-2)7-8-12/h9-11,13H,5-7H2,1-4H3.
What are the key properties of 3-(3-methylpentan-2-ylamino)pentanenitrile?
3-(3-methylpentan-2-ylamino)pentanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-ylamino)pentanenitrile is sourced from PubChem (CID 61463482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).