2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile

C14H28N4 — CID 63907930

IUPAC2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(C)CCCN(C)C)C1CC1
InChIInChI=1S/C14H28N4/c1-5-16-14(11-15,13-7-8-13)12-18(4)10-6-9-17(2)3/h13,16H,5-10,12H2,1-4H3
InChIKeyQNUCAPIQTWWDQI-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.15
Rot. Bonds9

About 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile

2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile (PubChem CID 63907930) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
PubChem CID63907930
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(C)CCCN(C)C)C1CC1
InChIInChI=1S/C14H28N4/c1-5-16-14(11-15,13-7-8-13)12-18(4)10-6-9-17(2)3/h13,16H,5-10,12H2,1-4H3
InChIKeyQNUCAPIQTWWDQI-UHFFFAOYSA-N
XLogP1.15
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile (CID 63907930) is 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile is CCNC(C#N)(CN(C)CCCN(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile?
The InChIKey is QNUCAPIQTWWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-16-14(11-15,13-7-8-13)12-18(4)10-6-9-17(2)3/h13,16H,5-10,12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63907930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).