4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile

C12H25N3 — CID 28568679

IUPAC4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
SMILESCC(C)N(CCNCCCC#N)C(C)C
InChIInChI=1S/C12H25N3/c1-11(2)15(12(3)4)10-9-14-8-6-5-7-13/h11-12,14H,5-6,8-10H2,1-4H3
InChIKeyXLNRJRXTLXKBCD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.00
Rot. Bonds8

About 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile

4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile (PubChem CID 28568679) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
PubChem CID28568679
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
SMILESCC(C)N(CCNCCCC#N)C(C)C
InChIInChI=1S/C12H25N3/c1-11(2)15(12(3)4)10-9-14-8-6-5-7-13/h11-12,14H,5-6,8-10H2,1-4H3
InChIKeyXLNRJRXTLXKBCD-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81106048
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
5-[2-[di(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 62228638
4-(cyanomethylamino)butanenitrile
CID 91395805
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513417
4-(octylamino)butanenitrile
CID 78914352
5-[2-[di(propan-2-yl)amino]ethylamino]pentanamide
CID 114281581
4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
CID 102905397
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
CID 79361244
N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106451162
N',N'-di(propan-2-yl)-N-(silyloxymethyl)ethane-1,2-diamine
CID 123361702

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile (CID 28568679) is 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile is CC(C)N(CCNCCCC#N)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile?
The InChIKey is XLNRJRXTLXKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(2)15(12(3)4)10-9-14-8-6-5-7-13/h11-12,14H,5-6,8-10H2,1-4H3.
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile?
4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile has a molecular weight of 211.35 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile is sourced from PubChem (CID 28568679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).