5-(pentan-2-ylamino)pentanenitrile

C10H20N2 — CID 60689862

IUPAC5-(pentan-2-ylamino)pentanenitrile
SMILESCCCC(C)NCCCCC#N
InChIInChI=1S/C10H20N2/c1-3-7-10(2)12-9-6-4-5-8-11/h10,12H,3-7,9H2,1-2H3
InChIKeyWTSXMCJEAUACBA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.46
Rot. Bonds7

About 5-(pentan-2-ylamino)pentanenitrile

5-(pentan-2-ylamino)pentanenitrile (PubChem CID 60689862) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-(pentan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(pentan-2-ylamino)pentanenitrile
PubChem CID60689862
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name5-(pentan-2-ylamino)pentanenitrile
SMILESCCCC(C)NCCCCC#N
InChIInChI=1S/C10H20N2/c1-3-7-10(2)12-9-6-4-5-8-11/h10,12H,3-7,9H2,1-2H3
InChIKeyWTSXMCJEAUACBA-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-ylheptan-1-amine
CID 43129169
3-(butylamino)butanenitrile
CID 60915360
N-pent-4-ynylpentan-2-amine
CID 115724855
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
3-(5-methylhexan-2-ylamino)propanenitrile
CID 43183224
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N-heptan-2-yldodecan-1-amine
CID 63491878
6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258

Frequently Asked Questions

What is the IUPAC name of 5-(pentan-2-ylamino)pentanenitrile?
The IUPAC name of 5-(pentan-2-ylamino)pentanenitrile (CID 60689862) is 5-(pentan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-(pentan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-(pentan-2-ylamino)pentanenitrile is CCCC(C)NCCCCC#N.
What is the InChIKey of 5-(pentan-2-ylamino)pentanenitrile?
The InChIKey is WTSXMCJEAUACBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-7-10(2)12-9-6-4-5-8-11/h10,12H,3-7,9H2,1-2H3.
What are the key properties of 5-(pentan-2-ylamino)pentanenitrile?
5-(pentan-2-ylamino)pentanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentan-2-ylamino)pentanenitrile is sourced from PubChem (CID 60689862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).