2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile

C11H22N4 — CID 63029852

IUPAC2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
SMILESCNC(C#N)CCN1CCCN(C)CC1
InChIInChI=1S/C11H22N4/c1-13-11(10-12)4-7-15-6-3-5-14(2)8-9-15/h11,13H,3-9H2,1-2H3
InChIKeySZFAGUZCKCCNKL-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.13
Rot. Bonds4

About 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile

2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile (PubChem CID 63029852) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
PubChem CID63029852
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
SMILESCNC(C#N)CCN1CCCN(C)CC1
InChIInChI=1S/C11H22N4/c1-13-11(10-12)4-7-15-6-3-5-14(2)8-9-15/h11,13H,3-9H2,1-2H3
InChIKeySZFAGUZCKCCNKL-UHFFFAOYSA-N
XLogP0.13
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile?
The IUPAC name of 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile (CID 63029852) is 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile.
What is the SMILES notation for 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile?
The canonical SMILES for 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile is CNC(C#N)CCN1CCCN(C)CC1.
What is the InChIKey of 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile?
The InChIKey is SZFAGUZCKCCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-13-11(10-12)4-7-15-6-3-5-14(2)8-9-15/h11,13H,3-9H2,1-2H3.
What are the key properties of 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile?
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile is sourced from PubChem (CID 63029852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).