4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile

C14H30N4 — CID 63028503

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCN(CCN(C)C)CC(C)C
InChIInChI=1S/C14H30N4/c1-6-16-14(11-15)7-8-18(12-13(2)3)10-9-17(4)5/h13-14,16H,6-10,12H2,1-5H3
InChIKeyBVSUKTXZDPKMBJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.40
Rot. Bonds10

About 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile (PubChem CID 63028503) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile
PubChem CID63028503
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCN(CCN(C)C)CC(C)C
InChIInChI=1S/C14H30N4/c1-6-16-14(11-15)7-8-18(12-13(2)3)10-9-17(4)5/h13-14,16H,6-10,12H2,1-5H3
InChIKeyBVSUKTXZDPKMBJ-UHFFFAOYSA-N
XLogP1.40
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile (CID 63028503) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile is CCNC(C#N)CCN(CCN(C)C)CC(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile?
The InChIKey is BVSUKTXZDPKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-6-16-14(11-15)7-8-18(12-13(2)3)10-9-17(4)5/h13-14,16H,6-10,12H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile has a molecular weight of 254.42 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile is sourced from PubChem (CID 63028503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).