4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile

C12H24N2 — CID 102905397

IUPAC4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
SMILESCC(C)C(CNCCCC#N)C(C)C
InChIInChI=1S/C12H24N2/c1-10(2)12(11(3)4)9-14-8-6-5-7-13/h10-12,14H,5-6,8-9H2,1-4H3
InChIKeyAHCHMFDQOQVDTC-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.81
Rot. Bonds7

About 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile

4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile (PubChem CID 102905397) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
PubChem CID102905397
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
SMILESCC(C)C(CNCCCC#N)C(C)C
InChIInChI=1S/C12H24N2/c1-10(2)12(11(3)4)9-14-8-6-5-7-13/h10-12,14H,5-6,8-9H2,1-4H3
InChIKeyAHCHMFDQOQVDTC-UHFFFAOYSA-N
XLogP2.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.81
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

4-(cyanomethylamino)butanenitrile
CID 91395805
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
CID 102913647
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
CID 28568679
4-(octylamino)butanenitrile
CID 78914352
3-[(3-amino-2-methylpropyl)amino]propanenitrile
CID 130604402
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
4-[(methylideneamino)methylamino]butanenitrile
CID 163999683
4-(but-3-yn-2-ylamino)butanenitrile
CID 114416582
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile?
The IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile (CID 102905397) is 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile.
What is the SMILES notation for 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile?
The canonical SMILES for 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile is CC(C)C(CNCCCC#N)C(C)C.
What is the InChIKey of 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile?
The InChIKey is AHCHMFDQOQVDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)12(11(3)4)9-14-8-6-5-7-13/h10-12,14H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile?
4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile has a molecular weight of 196.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile is sourced from PubChem (CID 102905397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).