2-(butan-2-ylamino)pentanenitrile

C9H18N2 — CID 61023749

IUPAC2-(butan-2-ylamino)pentanenitrile
SMILESCCCC(C#N)NC(C)CC
InChIInChI=1S/C9H18N2/c1-4-6-9(7-10)11-8(3)5-2/h8-9,11H,4-6H2,1-3H3
InChIKeyZXOHSHMCHVBUGY-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.07
Rot. Bonds5

About 2-(butan-2-ylamino)pentanenitrile

2-(butan-2-ylamino)pentanenitrile (PubChem CID 61023749) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(butan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)pentanenitrile
PubChem CID61023749
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(butan-2-ylamino)pentanenitrile
SMILESCCCC(C#N)NC(C)CC
InChIInChI=1S/C9H18N2/c1-4-6-9(7-10)11-8(3)5-2/h8-9,11H,4-6H2,1-3H3
InChIKeyZXOHSHMCHVBUGY-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hexan-3-ylamino)butanenitrile
CID 62118190
N-butan-2-ylheptan-4-amine
CID 43190303
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
CID 102983485
2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile
CID 116501961
N-(1-cyanobutyl)ethanesulfonamide
CID 61125057
2-(2-hydroxyethylamino)pentanenitrile
CID 62586058
4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053353
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
4-pentoxy-2-(propan-2-ylamino)butanenitrile
CID 63029610

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)pentanenitrile?
The IUPAC name of 2-(butan-2-ylamino)pentanenitrile (CID 61023749) is 2-(butan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-(butan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-(butan-2-ylamino)pentanenitrile is CCCC(C#N)NC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)pentanenitrile?
The InChIKey is ZXOHSHMCHVBUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-9(7-10)11-8(3)5-2/h8-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)pentanenitrile?
2-(butan-2-ylamino)pentanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)pentanenitrile is sourced from PubChem (CID 61023749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).