2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile

C14H27N3 — CID 55258249

IUPAC2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN(C)CC1CC1C
InChIInChI=1S/C14H27N3/c1-5-7-16-14(3,11-15)6-8-17(4)10-13-9-12(13)2/h12-13,16H,5-10H2,1-4H3
InChIKeyYUEOQKBMEIOBCC-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds8

About 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile

2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile (PubChem CID 55258249) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
PubChem CID55258249
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN(C)CC1CC1C
InChIInChI=1S/C14H27N3/c1-5-7-16-14(3,11-15)6-8-17(4)10-13-9-12(13)2/h12-13,16H,5-10H2,1-4H3
InChIKeyYUEOQKBMEIOBCC-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile?
The IUPAC name of 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile (CID 55258249) is 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile.
What is the SMILES notation for 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile?
The canonical SMILES for 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile is CCCNC(C)(C#N)CCN(C)CC1CC1C.
What is the InChIKey of 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile?
The InChIKey is YUEOQKBMEIOBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-16-14(3,11-15)6-8-17(4)10-13-9-12(13)2/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile?
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile is sourced from PubChem (CID 55258249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).